CID 118600

34121-17-0

Structural Information

Molecular Formula

C₇H₈ClN₃O₃S

SMILES

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

InChI

InChI=1S/C7H8ClN3O3S/c8-4-2-5(9)3(7(10)12)1-6(4)15(11,13)14/h1-2H,9H2,(H2,10,12)(H2,11,13,14)

InChIKey

YZVLDYQGTHLMDZ-UHFFFAOYSA-N

Compound name

2-amino-4-chloro-5-sulfamoylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 248.9975 Da
Monoisotopic Mass: -0.1
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]+	250.004776	148.8
[M+Na]+	271.986718	158.0
[M-H]-	247.990224	152.0
[M+NH4]+	267.031323	165.8
[M+K]+	287.960658	153.1
[M+H-H2O]+	231.994760	144.0
[M+HCOO]-	293.995701	163.5
[M+CH3COO]-	308.011351	195.0
[M+Na-2H]-	269.972166	150.1
[M]+	248.99695142	148.7
[M]-	248.99804858	148.7

Literature stripe

literature stripe

Patent stripe

patents stripe