CID 50998090

263349-74-2

Structural Information

Molecular Formula

C₆H₄BrF₂NO₂S

SMILES

C1=C(C=C(C(=C1F)S(=O)(=O)N)F)Br

InChI

InChI=1S/C6H4BrF2NO2S/c7-3-1-4(8)6(5(9)2-3)13(10,11)12/h1-2H,(H2,10,11,12)

InChIKey

XSCXKUIQRGHUQJ-UHFFFAOYSA-N

Compound name

4-bromo-2,6-difluorobenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 270.9114 Da
Monoisotopic Mass: 1.4
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]+	271.91868	136.4
[M+Na]+	293.90062	150.7
[M-H]-	269.90412	140.8
[M+NH4]+	288.94522	156.8
[M+K]+	309.87456	137.7
[M+H-H2O]+	253.90866	135.0
[M+HCOO]-	315.90960	151.8
[M+CH3COO]-	329.92525	191.9
[M+Na-2H]-	291.88607	141.3
[M]+	270.91085	153.8
[M]-	270.91195	153.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe