CID 50989787

2,2-difluoroethane-1-sulfonamide

Structural Information

Molecular Formula

C₂H₅F₂NO₂S

SMILES

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

InChI

InChI=1S/C2H5F2NO2S/c3-2(4)1-8(5,6)7/h2H,1H2,(H2,5,6,7)

InChIKey

ZXBOMSJOUZHDTP-UHFFFAOYSA-N

Compound name

2,2-difluoroethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 145.0009 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]+	146.00818	120.7
[M+Na]+	167.99012	129.1
[M-H]-	143.99362	118.5
[M+NH4]+	163.03472	141.8
[M+K]+	183.96406	127.9
[M+H-H2O]+	127.99816	114.5
[M+HCOO]-	189.99910	136.7
[M+CH3COO]-	204.01475	171.8
[M+Na-2H]-	165.97557	123.8
[M]+	145.00035	118.5
[M]-	145.00145	118.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe