CID 19102712

Sodium fluoromethanesulfinate

Structural Information

Molecular Formula

SMILES

C(F)S(=O)O

InChI

InChI=1S/CH3FO2S/c2-1-5(3)4/h1H2,(H,3,4)

InChIKey

VSAVIUSEFTYPSF-UHFFFAOYSA-N

Compound name

fluoromethanesulfinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 97.98378 Da
Monoisotopic Mass: -0.2
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]+	98.991056	110.5
[M+Na]+	120.97300	119.3
[M-H]-	96.976504	109.0
[M+NH4]+	116.01760	133.6
[M+K]+	136.94694	118.7
[M+H-H2O]+	80.981040	105.8
[M+HCOO]-	142.98198	127.4
[M+CH3COO]-	156.99763	159.9
[M+Na-2H]-	118.95845	114.3
[M]+	97.983231	110.4
[M]-	97.984329	110.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe