2,2,2-Trifluoroethanesulfonyl chloride(1648-99-3) MS
Product Name2,2,2-Trifluoroethanesulfonyl chloride
CAS1648-99-3
Molecular FormulaC2H2ClF3O2S
Molecular Weight182.55
InChIInChI=1S/C2H2ClF3O2S/c3-9(7,8)1-2(4,5)6/h1H2
InChIKey CXCHEKCRJQRVNG-UHFFFAOYSA-N
SmilesC(S(Cl)(=O)=O)C(F)(F)F
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MassMS-IW-4074 2,2,2-trifluoroethanesulfonyl chloride C2H2ClF3O2S (Mass of molecular ion: 182)
Source Temperature: 230 °C Sample Temperature: 150 °C Reservoir, 75 eV
28.0 1.4 29.0 1.0 31.0 2.1 32.0 1.0 33.0 27.2 36.0 3.0 44.0 1.8 45.0 2.5 48.0 6.0 49.0 1.1 51.0 2.8 57.0 1.1 63.0 5.6 64.0 16.6 65.0 1.4 67.0 6.3 69.0 7.2 79.0 2.9 82.0 1.2 83.0 67.5 84.0 1.5 99.0 12.4 101.0 4.2 147.0 100.0 148.0 3.1 149.0 4.9
parameter in CDCl3
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1H NMR 300 MHz C2 H2 Cl F3 O2 S 0.05 ml : 0.5 ml CDCl3 2,2,2-trifluoroethanesulfonyl chloride 
Parameter ppm Hz
D(A) 4.450 J(A,F-19) 8.2
Hz ppm Int.1347.30 4.491 335 1339.10 4.464 1000 1330.90 4.436 1000 1322.70 4.409 335
in CDCl3
liquid film
