CID 66453

80-20-6

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₃S

SMILES

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

InChI

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

InChIKey

IAOZVUUQCPRLOI-UHFFFAOYSA-N

Compound name

3-amino-4-hydroxy-N-phenylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 48
Patents: 264.05685 Da
Monoisotopic Mass: 1.4
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]+	265.06413	155.2
[M+Na]+	287.04607	163.0
[M-H]-	263.04957	160.6
[M+NH4]+	282.09067	170.6
[M+K]+	303.02001	158.0
[M+H-H2O]+	247.05411	148.2
[M+HCOO]-	309.05505	174.3
[M+CH3COO]-	323.07070	194.2
[M+Na-2H]-	285.03152	160.5
[M]+	264.05630	154.6
[M]-	264.05740	154.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe