CID 72223779

86093-06-3

Structural Information

Molecular Formula

C₆H₆ClNO₃S

SMILES

C1=CC(=C(C=C1O)S(=O)(=O)N)Cl

InChI

InChI=1S/C6H6ClNO3S/c7-5-2-1-4(9)3-6(5)12(8,10)11/h1-3,9H,(H2,8,10,11)

InChIKey

OCYUYTAYUAHUNW-UHFFFAOYSA-N

Compound name

2-chloro-5-hydroxybenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 206.9757 Da
Monoisotopic Mass: 0.4
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]+	207.98298	136.4
[M+Na]+	229.96492	146.9
[M-H]-	205.96842	139.4
[M+NH4]+	225.00952	155.8
[M+K]+	245.93886	142.1
[M+H-H2O]+	189.97296	132.6
[M+HCOO]-	251.97390	150.3
[M+CH3COO]-	265.98955	178.8
[M+Na-2H]-	227.95037	140.7
[M]+	206.97515	138.7
[M]-	206.97625	138.7

Literature stripe

literature stripe

Patent stripe

patents stripe