CID 20574023

60543-27-3

Structural Information

Molecular Formula

C₄H₅F₃O₃S

SMILES

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

InChI

InChI=1S/C4H5F3O3S/c5-4(6,7)2-11(10)1-3(8)9/h1-2H2,(H,8,9)

InChIKey

FIAZTSFGZORROG-UHFFFAOYSA-N

Compound name

2-(2,2,2-trifluoroethylsulfinyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 189.99115 Da
Monoisotopic Mass: 0.1
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]+	190.99843	141.5
[M+Na]+	212.98037	146.6
[M+NH4]+	208.02497	145.4
[M+K]+	228.95431	142.7
[M-H]-	188.98387	134.3
[M+Na-2H]-	210.96582	140.6
[M]+	189.99060	140.0
[M]-	189.99170	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe