CID 822865

3,4-difluorobenzenesulfonamide

Structural Information

Molecular Formula

C₆H₅F₂NO₂S

SMILES

C1=CC(=C(C=C1S(=O)(=O)N)F)F

InChI

InChI=1S/C6H5F2NO2S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3H,(H2,9,10,11)

InChIKey

VFVVRYNJTGHAIE-UHFFFAOYSA-N

Compound name

3,4-difluorobenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 387
Patents: 193.0009 Da
Monoisotopic Mass: 0.9
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]+	194.00818	131.4
[M+Na]+	215.99012	141.9
[M-H]-	191.99362	132.9
[M+NH4]+	211.03472	151.1
[M+K]+	231.96406	138.4
[M+H-H2O]+	175.99816	124.4
[M+HCOO]-	237.99910	149.0
[M+CH3COO]-	252.01475	180.7
[M+Na-2H]-	213.97557	135.3
[M]+	193.00035	129.9
[M]-	193.00145	129.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe