55190-46-0

占顿醇(55190-46-0)质谱(MS)

产品名称:占顿醇

CAS:55190-46-0

分子式:C4H7Br2NO2

分子量: 260.91

InChI:InChI=1S/C4H7Br2NO2/c5-1-3(6)2-9-4(7)8/h3H,1-2H2,(H2,7,8)

InChIKey: XPGGXNIIXHFGKQ-UHFFFAOYSA-N

Smiles:C(OC(=O)N)C(Br)CBr

Mass

MS-NW-4991          
2,3-dibromopropyl carbamate
C4H7Br2NO2          (Mass of molecular ion:    259)

   Source Temperature: 130 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      15.0       3.7
      16.0       4.3
      17.0       2.1
      18.0       2.6
      26.0       5.3
      27.0      28.3
      28.0       6.5
      29.0      27.2
      30.0       2.3
      31.0      34.6
      37.0       1.2
      38.0       2.6
      39.0      29.7
      40.0       3.6
      41.0      13.0
      42.0       1.1
      43.0       7.9
      44.0     100.0
      45.0       2.7
      55.0       1.8
      57.0      61.3
      58.0       7.4
      62.0      30.6
      73.5      25.7
      78.0       1.1
      79.0       1.9
      80.0       1.3
      81.0       1.9
      85.5       1.2
      86.5       3.2
      93.0       3.3
      95.0       2.8
     100.0      10.6
     105.0       1.8
     106.0       6.9
     107.0       4.2
     108.0       6.6
     109.0       3.0
     119.0      22.0
     121.0      20.8
     136.0       2.2
     137.0      20.7
     138.0       2.7
     139.0      18.6
     180.0      45.7
     181.0       2.1
     182.0      44.3
     183.0       2.3
     198.0       2.0
     200.0       3.9
     202.0       1.9

in CDCl3