16191-84-7

2-氯乙基-4-氯苯砜(16191-84-7)质谱(MS)

产品名称:2-氯乙基-4-氯苯砜

CAS:16191-84-7

分子式:C8H8Cl2O2S

分子量: 239.12

InChI:InChI=1S/C8H8Cl2O2S/c9-5-6-13(11,12)8-3-1-7(10)2-4-8/h1-4H,5-6H2

InChIKey: KXQHTLXSDBXWNB-UHFFFAOYSA-N

Smiles:C1(Cl)=CC=C(S(CCCl)(=O)=O)C=C1

Mass

MS-IW-4921          
2-chloroethyl p-chlorophenyl sulfone
C8H8Cl2O2S          (Mass of molecular ion:    238)

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

      26.0       1.5
      27.0      20.8
      28.0       2.3
      36.0       3.9
      38.0       1.8
      39.0       1.1
      45.0       1.6
      49.0       1.0
      50.0      15.8
      51.0       8.4
      61.0       2.6
      62.0       1.3
      63.0      38.5
      64.0       1.4
      65.0      12.3
      69.0       1.3
      73.0       3.0
      74.0       9.3
      75.0      44.3
      76.0       9.7
      77.0       4.6
      84.0       1.2
      85.0       5.2
      87.0       2.2
      99.0       5.5
     101.0       2.1
     103.0       1.1
     108.0       1.6
     110.0       1.0
     111.0     100.0
     112.0      23.5
     113.0      37.5
     114.0       7.5
     115.0       1.0
     125.0       3.0
     127.0      15.1
     128.0       5.4
     129.0       4.9
     130.0       1.7
     131.0       3.7
     133.0       1.4
     138.0       1.2
     159.0      39.0
     160.0       3.2
     161.0      14.3
     162.0       1.1
     175.0      93.0
     176.0      14.6
     177.0      35.7
     178.0       5.3
     179.0       1.8
     190.0       1.8
     192.0       1.4
     202.0      10.0
     204.0       4.0
     210.0      31.9
     211.0       2.4
     212.0      21.7
     213.0       1.6
     214.0       4.3
     238.0      37.3
     239.0       3.7
     240.0      25.3
     241.0       2.4
     242.0       4.9

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₈ Cl₂ O₂ S	0.040 g : 0.5 ml CDCl₃
2-chloroethyl p-chlorophenyl sulfone

    Assign.     Shift(ppm)

      A             7.871
      B             7.581
      C             3.764
      D             3.544

     Hz     ppm     Int.

   3152.95   7.890    127
   3150.63   7.884    843
   3148.56   7.879    298
   3143.80   7.867    332
   3141.72   7.862    948
   3139.40   7.856    138
   3036.25   7.598    163
   3033.81   7.592   1000
   3031.74   7.586    316
   3027.10   7.575    315
   3025.02   7.570    837
   3022.58   7.564    115
   3020.87   7.559     39
   1513.06   3.786    367
   1512.45   3.785    371
   1508.54   3.775    115
   1505.74   3.768    765
   1504.03   3.764    394
   1501.22   3.757    127
   1497.92   3.749    538
   1497.44   3.747    528
   1423.34   3.562    537
   1422.97   3.561    529
   1419.56   3.553    114
   1416.75   3.545    378
   1415.16   3.541    741
   1412.23   3.534    103
   1408.33   3.524    368
   1407.84   3.523    365

in CDCl3