CID 47002245

18370-92-8

Structural Information

Molecular Formula

C₃H₃F₃O₂S

SMILES

C=CS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C3H3F3O2S/c1-2-9(7,8)3(4,5)6/h2H,1H2

InChIKey

MDPHUVMALYIVCT-UHFFFAOYSA-N

Compound name

1-(trifluoromethylsulfonyl)ethene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 159.98059 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	160.98787	137.5
[M+Na]+	182.96981	144.1
[M+NH4]+	178.01441	142.2
[M+K]+	198.94375	139.1
[M-H]-	158.97331	131.0
[M+Na-2H]-	180.95526	138.0
[M]+	159.98004	136.6
[M]-	159.98114	136.6

Literature stripe

literature stripe

Patent stripe

patents stripe