CID 47002245

Trifluoromethanesulfonylethene

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: 42
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	122.0
[M+Na]+	182.96981	132.0
[M-H]-	158.97331	119.3
[M+NH4]+	178.01441	143.3
[M+K]+	198.94375	130.1
[M+H-H2O]+	142.97785	115.9
[M+HCOO]-	204.97879	136.1
[M+CH3COO]-	218.99444	171.6
[M+Na-2H]-	180.95526	126.8
[M]+	159.98004	120.2
[M]-	159.98114	120.2

Literature stripe

literature stripe

Patent stripe

patents stripe