CID 57002231

1422738-67-7

Structural Information

Molecular Formula

C₂H₄F₂O₂S

SMILES

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

InChI

InChI=1S/C2H4F2O2S/c1-2(3,4)7(5)6/h1H3,(H,5,6)

InChIKey

DWROSHCHGYEMGF-UHFFFAOYSA-N

Compound name

1,1-difluoroethanesulfinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 101
Patents: 129.99 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]+	130.99728	117.4
[M+Na]+	152.97922	126.0
[M-H]-	128.98272	114.4
[M+NH4]+	148.02382	139.1
[M+K]+	168.95316	125.1
[M+H-H2O]+	112.98726	112.0
[M+HCOO]-	174.98820	131.4
[M+CH3COO]-	189.00385	166.0
[M+Na-2H]-	150.96467	120.8
[M]+	129.98945	115.9
[M]-	129.99055	115.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe