Methyl 2,2-difluoro-2-(fluorosulfonyl)acetate(680-15-9) IR1
Product NameMethyl 2,2-difluoro-2-(fluorosulfonyl)acetate
CAS680-15-9
Molecular FormulaC3H3F3O4S
Molecular Weight192.11
InChIInChI=1S/C3H3F3O4S/c1-10-2(7)3(4,5)11(6,8)9/h1H3
InChIKey GQJCAQADCPTHKN-UHFFFAOYSA-N
SmilesC(OC)(=O)C(F)(F)S(F)(=O)=O
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MassMS-IW-4100 methyl difluoro(fluorosulfonyl)acetate C3H3F3O4S (Mass of molecular ion: 192)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 53.6 28.0 3.2 29.0 6.8 30.0 1.8 31.0 7.4 44.0 3.6 45.0 4.2 48.0 3.5 50.0 5.9 51.0 2.4 59.0 100.0 60.0 3.4 64.0 3.6 65.0 12.2 67.0 16.8 68.0 4.4 69.0 2.8 78.0 5.9 79.0 1.5 81.0 3.4 83.0 2.2 97.0 4.3 98.0 3.7 109.0 26.3 111.0 1.2 133.0 2.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C3 H3 F3 O4 S 0.05 ml : 0.5 ml CDCl3 methyl difluoro(fluorosulfonyl)acetate 
Assign. Shift(ppm)
A 4.087
Hz ppm Int.1633.42 4.088 1000
in CDCl3
liquid film
