2,5-DICHLOROBENZENESULFONIC ACID(88-42-6) MS
Product Name2,5-DICHLOROBENZENESULFONIC ACID
CAS88-42-6
Molecular FormulaC6H4Cl2O3S
Molecular Weight227.07
InChIInChI=1S/C6H4Cl2O3S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H,(H,9,10,11)
InChIKey LFXZSGVZSSMCMB-UHFFFAOYSA-N
SmilesC1(S(O)(=O)=O)=CC(Cl)=CC=C1Cl
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MassMS-NW-2632 2,5-dichlorobenzenesulfonic acid C6H4Cl2O3S 2H2O (Mass of molecular ion: 226)
Source Temperature: 240 °C Sample Temperature: 140 °C Direct, 75 eV
18.0 3.6 28.0 2.9 35.0 1.0 36.0 6.5 37.0 3.8 38.0 2.6 39.0 1.5 48.0 2.4 49.0 2.4 50.0 11.5 51.0 3.0 53.0 1.2 54.5 1.2 55.0 1.0 60.0 1.0 61.0 2.9 62.0 3.3 63.0 23.1 64.0 1.7 65.0 20.0 67.0 1.0 69.0 1.5 72.0 1.5 73.0 11.2 74.0 32.9 75.0 30.9 76.0 2.3 81.0 1.7 83.0 1.8 84.0 8.9 85.0 6.9 86.0 3.3 87.0 2.4 91.0 1.4 97.0 1.7 98.0 23.0 99.0 18.3 100.0 8.4 101.0 5.8 107.0 1.2 108.0 1.9 109.0 54.8 110.0 13.8 111.0 20.6 112.0 4.5 113.0 1.3 115.0 1.1 119.0 1.4 126.0 9.3 127.0 2.6 128.0 4.9 129.0 1.1 133.0 21.9 134.0 4.0 135.0 14.9 136.0 2.6 137.0 2.4 143.0 2.0 144.0 5.0 145.0 48.1 146.0 7.4 147.0 29.8 148.0 3.3 149.0 5.0 161.0 2.8 162.0 84.0 163.0 7.3 164.0 55.2 165.0 4.3 166.0 9.1 192.0 2.1 209.0 3.0 211.0 2.0 226.0 100.0 227.0 7.4 228.0 64.9 229.0 4.7 230.0 12.5
KBr disc
nujol mull
