CID 13350613

Difluoromethanesulfonyl fluoride

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/CHF3O2S/c2-1(3)7(4,5)6/h1H

InChIKey

OEDFBJZWAYJCHE-UHFFFAOYSA-N

Compound name

difluoromethanesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 111
Patents: 133.96494 Da
Monoisotopic Mass: 1.1
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]+	134.972216	113.3
[M+Na]+	156.954158	123.1
[M-H]-	132.957664	110.7
[M+NH4]+	151.998763	135.5
[M+K]+	172.928098	122.4
[M+H-H2O]+	116.962200	107.0
[M+HCOO]-	178.963141	128.4
[M+CH3COO]-	192.978791	167.7
[M+Na-2H]-	154.939606	117.2
[M]+	133.96439142	111.5
[M]-	133.96548858	111.5

Literature stripe

literature stripe

Patent stripe

patents stripe