37777-76-7

2-氯-6-氟苯乙酸(37777-76-7)质谱(MS)

产品名称:2-氯-6-氟苯乙酸

CAS:37777-76-7

分子式:C8H6ClFO2

分子量: 188.58

InChI:InChI=1S/C8H6ClFO2/c9-6-2-1-3-7(10)5(6)4-8(11)12/h1-3H,4H2,(H,11,12)

InChIKey: GUAIAAXDEJZRBP-UHFFFAOYSA-N

Smiles:C1(CC(O)=O)=C(F)C=CC=C1Cl

Mass

MS-NW-9339          
2-chloro-6-fluorophenylacetic acid
C8H6ClFO2           (Mass of molecular ion:    188)

   Source Temperature: 260 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      18.0       4.8
      28.0       1.8
      31.0       1.0
      36.0       1.0
      39.0       2.3
      45.0       2.6
      50.0       1.5
      51.0       2.7
      57.0       8.2
      62.0       2.7
      63.0       4.4
      71.5       2.3
      73.0       1.7
      75.0       3.0
      77.0       2.0
      81.0       5.7
      82.0       1.5
      83.0       6.6
      87.0       1.1
      89.0       5.5
      91.0       1.2
      93.0       1.3
      95.0       1.9
      96.0       1.2
      97.0       1.6
     105.0       1.0
     107.0      28.2
     108.0      18.6
     109.0      54.3
     110.0       4.2
     117.0       6.3
     119.0       2.1
     123.0       1.2
     124.0       6.3
     125.0       3.6
     126.0       2.2
     140.0       1.0
     142.0       1.1
     143.0     100.0
     144.0      11.9
     145.0      32.4
     146.0       4.3
     153.0      40.4
     154.0       3.8
     188.0      38.9
     189.0       3.7
     190.0      12.8
     191.0       1.2

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₈ H₆ Cl F O₂	0.038 g : 0.5 ml DMSO-d₆
2-chloro-6-fluorophenylacetic acid

    Assign.     Shift(ppm)

      A            12.7
      B             7.36
      C             7.33
      D             7.236
      E             3.745
     
     CONFIRMED BY LAOCN PROGRAM.

     Hz     ppm     Int.

   5079.91  12.711     37
   2956.96   7.399     84
   2951.19   7.385     74
   2949.05   7.380    264
   2943.07   7.365    278
   2941.15   7.360    336
   2938.16   7.352    476
   2936.02   7.347    874
   2930.04   7.332    166
   2928.11   7.327     78
   2900.76   7.259    191
   2899.05   7.254    180
   2897.56   7.251     52
   2892.85   7.239    160
   2891.36   7.235    300
   2888.79   7.229    172
   2884.52   7.218    120
   2881.96   7.212    125
   1497.93   3.749   1000
   1496.00   3.744    996

in CDCl3

in DMSO-d6