CID 170541

41606-65-9

Structural Information

Molecular Formula

C₆H₇ClN₂O₃S

SMILES

C1=C(C(=CC(=C1Cl)S(=O)(=O)N)O)N

InChI

InChI=1S/C6H7ClN2O3S/c7-3-1-4(8)5(10)2-6(3)13(9,11)12/h1-2,10H,8H2,(H2,9,11,12)

InChIKey

WUDOEWHXJCBYJH-UHFFFAOYSA-N

Compound name

4-amino-2-chloro-5-hydroxybenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 221.98659 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]+	222.99387	140.9
[M+Na]+	244.97581	151.2
[M-H]-	220.97931	143.5
[M+NH4]+	240.02041	159.2
[M+K]+	260.94975	146.0
[M+H-H2O]+	204.98385	136.9
[M+HCOO]-	266.98479	155.0
[M+CH3COO]-	281.00044	184.7
[M+Na-2H]-	242.96126	143.9
[M]+	221.98604	141.7
[M]-	221.98714	141.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe