CID 60921768

1178684-85-9

Structural Information

Molecular Formula

C₄H₆F₂O₄S

SMILES

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

InChI

InChI=1S/C4H6F2O4S/c5-3(6)1-11(9,10)2-4(7)8/h3H,1-2H2,(H,7,8)

InChIKey

RJPIQECPLXVXBC-UHFFFAOYSA-N

Compound name

2-(2,2-difluoroethylsulfonyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 187.99548 Da
Monoisotopic Mass: 0.0
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]+	189.00276	130.5
[M+Na]+	210.98470	138.3
[M-H]-	186.98820	127.1
[M+NH4]+	206.02930	149.5
[M+K]+	226.95864	137.0
[M+H-H2O]+	170.99274	124.4
[M+HCOO]-	232.99368	143.7
[M+CH3COO]-	247.00933	175.2
[M+Na-2H]-	208.97015	132.1
[M]+	187.99493	130.6
[M]-	187.99603	130.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.