CID 313869

Nsc229583

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₃S

SMILES

C1=CC=C(C(=C1)NS(=O)(=O)C2=CC=C(C=C2)N)O

InChI

InChI=1S/C12H12N2O3S/c13-9-5-7-10(8-6-9)18(16,17)14-11-3-1-2-4-12(11)15/h1-8,14-15H,13H2

InChIKey

KKOQLOXVLRQIFH-UHFFFAOYSA-N

Compound name

4-amino-N-(2-hydroxyphenyl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 24
Patents: 264.05685 Da
Monoisotopic Mass: 1.0
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]+	265.064126	155.2
[M+Na]+	287.046068	163.0
[M-H]-	263.049574	160.6
[M+NH4]+	282.090673	170.6
[M+K]+	303.020008	158.0
[M+H-H2O]+	247.054110	148.2
[M+HCOO]-	309.055051	174.3
[M+CH3COO]-	323.070701	194.2
[M+Na-2H]-	285.031516	160.5
[M]+	264.05630142	154.6
[M]-	264.05739858	154.6

Literature stripe

literature stripe

Patent stripe

patents stripe