20357-28-2

5-氯-2-硝基肉桂酸(20357-28-2)质谱(MS)

产品名称:5-氯-2-硝基肉桂酸

CAS:20357-28-2

分子式:C9H6ClNO4

分子量: 227.6

InChI:InChI=1S/C9H6ClNO4/c10-7-2-3-8(11(14)15)6(5-7)1-4-9(12)13/h1-5H,(H,12,13)

InChIKey: PXHIUBAKYZFXKE-UHFFFAOYSA-N

Smiles:C(O)(=O)C=CC1=CC(Cl)=CC=C1[N+]([O-])=O

IR1

IR2

Mass

MS-NW-7222          
5-chloro-2-nitrocinnamic acid
C9H6ClNO4           (Mass of molecular ion:    227)

   Source Temperature: 160 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      16.0       2.5
      17.0       4.0
      18.0       7.1
      26.0       1.5
      27.0       2.7
      28.0       5.3
      29.0       6.5
      30.0       7.4
      35.0       1.9
      36.0      13.8
      37.0       4.3
      38.0       6.0
      39.0      12.3
      40.0       1.1
      41.0       1.1
      43.0       6.3
      44.0       9.4
      45.0      17.7
      46.0       1.1
      49.0       5.6
      49.5       2.9
      50.0      28.5
      50.5       1.7
      51.0      31.9
      52.0       4.6
      53.0       3.9
      55.0       1.7
      60.0       1.3
      61.0       6.9
      62.0      14.8
      63.0      39.4
      64.0       8.2
      65.0       6.6
      66.0       1.7
      68.0       7.6
      68.5       1.2
      69.0       8.6
      72.0       1.0
      73.0      16.9
      74.0      33.2
      75.0      60.6
      76.0      11.7
      77.0      25.2
      78.0       5.1
      79.0       1.1
      84.0       3.0
      85.0       5.8
      86.0       5.0
      87.0       8.4
      88.0       4.9
      89.0      56.0
      90.0      54.5
      91.0      12.1
      92.0       5.7
      97.0       4.8
      98.0      12.7
      99.0      70.9
     100.0      14.0
     101.0      34.7
     102.0      19.4
     103.0       3.5
     104.0       1.7
     105.0       1.5
     108.0       1.0
     109.0       2.8
     110.0      10.1
     111.0      14.6
     112.0       7.8
     113.0       8.5
     114.0       3.9
     115.0       2.1
     116.0       1.9
     117.0       1.9
     118.0      10.0
     119.0       2.3
     120.0       1.0
     123.0      11.1
     124.0       7.4
     125.0      48.0
     126.0      74.8
     127.0      34.9
     128.0      25.8
     129.0       7.3
     130.0       1.8
     132.0       1.1
     134.0       1.2
     135.0       5.0
     136.0      13.3
     137.0      11.5
     138.0      17.5
     139.0      10.2
     140.0       5.1
     141.0       4.7
     142.0       1.0
     143.0       1.2
     146.0       2.4
     150.0       3.4
     151.0       7.0
     152.0       8.2
     153.0      12.9
     154.0      34.0
     155.0       9.4
     156.0      11.4
     157.0       2.3
     163.0       1.4
     164.0      13.2
     165.0       2.8
     166.0      15.0
     167.0       4.8
     168.0       5.0
     169.0       1.7
     174.0       1.7
     180.0       4.7
     181.0     100.0
     182.0      54.5
     183.0      37.7
     184.0      17.9
     185.0       1.7
     192.0       5.0
     194.0       1.6
     209.0       3.6
     210.0       3.9
     211.0       1.7
     212.0       1.4
     227.0       4.6
     229.0       1.8

KBr disc