CID 213020

4-chloro-3-sulfamoyl-benzenecarboxamide

Structural Information

Molecular Formula

C₇H₇ClN₂O₃S

SMILES

C1=CC(=C(C=C1C(=O)N)S(=O)(=O)N)Cl

InChI

InChI=1S/C7H7ClN2O3S/c8-5-2-1-4(7(9)11)3-6(5)14(10,12)13/h1-3H,(H2,9,11)(H2,10,12,13)

InChIKey

WRLKLPDTRUYBBV-UHFFFAOYSA-N

Compound name

4-chloro-3-sulfamoylbenzamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 77
Patents: 233.98659 Da
Monoisotopic Mass: 0.0
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]+	234.993866	144.4
[M+Na]+	256.975808	153.8
[M-H]-	232.979314	148.0
[M+NH4]+	252.020413	162.5
[M+K]+	272.949748	149.2
[M+H-H2O]+	216.983850	139.8
[M+HCOO]-	278.984791	158.9
[M+CH3COO]-	293.000441	188.8
[M+Na-2H]-	254.961256	147.0
[M]+	233.98604142	145.8
[M]-	233.98713858	145.8

Literature stripe

literature stripe

Patent stripe

patents stripe