CID 11789627

1416821-53-8

Structural Information

Molecular Formula

C₂H₃F₃O₂S

SMILES

C(C(F)(F)F)S(=O)O

InChI

InChI=1S/C2H3F3O2S/c3-2(4,5)1-8(6)7/h1H2,(H,6,7)

InChIKey

FHYFYGPYISWMLL-UHFFFAOYSA-N

Compound name

2,2,2-trifluoroethanesulfinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 147.98059 Da
Monoisotopic Mass: 0.5
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]+	148.98787	119.5
[M+Na]+	170.96981	128.2
[M-H]-	146.97331	115.2
[M+NH4]+	166.01441	140.5
[M+K]+	186.94375	126.9
[M+H-H2O]+	130.97785	113.1
[M+HCOO]-	192.97879	132.5
[M+CH3COO]-	206.99444	168.2
[M+Na-2H]-	168.95526	122.4
[M]+	147.98004	116.7
[M]-	147.98114	116.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe