CID 2492715

2-bromo-5-sulfamoylbenzoic acid

Structural Information

Molecular Formula

C₇H₆BrNO₄S

SMILES

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

InChI

InChI=1S/C7H6BrNO4S/c8-6-2-1-4(14(9,12)13)3-5(6)7(10)11/h1-3H,(H,10,11)(H2,9,12,13)

InChIKey

WNBYWDDLBAANSQ-UHFFFAOYSA-N

Compound name

2-bromo-5-sulfamoylbenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 278.9201 Da
Monoisotopic Mass: 1.6
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]+	279.92738	137.4
[M+Na]+	301.90932	138.2
[M+NH4]+	296.95392	140.3
[M+K]+	317.88326	140.2
[M-H]-	277.91282	135.7
[M+Na-2H]-	299.89477	139.2
[M]+	278.91955	136.0
[M]-	278.92065	136.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe