CID 21893429

Difluoromethanesulfonamide

Structural Information

Molecular Formula

CH₃F₂NO₂S

SMILES

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

InChI

InChI=1S/CH3F2NO2S/c2-1(3)7(4,5)6/h1H,(H2,4,5,6)

InChIKey

CWKHJADKQVHTAU-UHFFFAOYSA-N

Compound name

difluoromethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 375
Patents: 130.98526 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]+	131.99254	116.2
[M+Na]+	153.97448	125.0
[M-H]-	129.97798	114.1
[M+NH4]+	149.01908	137.8
[M+K]+	169.94842	124.0
[M+H-H2O]+	113.98252	110.2
[M+HCOO]-	175.98346	132.4
[M+CH3COO]-	189.99911	168.8
[M+Na-2H]-	151.95993	119.8
[M]+	130.98471	113.6
[M]-	130.98581	113.6

Literature stripe

literature stripe

Patent stripe

patents stripe