CID 57210856

Sodium 4,4,4-trifluorobutane-1-sulfinate

Structural Information

Molecular Formula

C₄H₇F₃O₂S

SMILES

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

InChI

InChI=1S/C4H7F3O2S/c5-4(6,7)2-1-3-10(8)9/h1-3H2,(H,8,9)

InChIKey

HLYXOHOLIUKLQP-UHFFFAOYSA-N

Compound name

4,4,4-trifluorobutane-1-sulfinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 176.01189 Da
Monoisotopic Mass: 1.2
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]+	177.01917	138.8
[M+Na]+	199.00111	144.6
[M+NH4]+	194.04571	143.6
[M+K]+	214.97505	139.7
[M-H]-	175.00461	132.5
[M+Na-2H]-	196.98656	138.7
[M]+	176.01134	137.8
[M]-	176.01244	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe