CID 5319

Sulfabenzamide

Structural Information

Molecular Formula

C₁₃H₁₂N₂O₃S

SMILES

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

InChI

InChI=1S/C13H12N2O3S/c14-11-6-8-12(9-7-11)19(17,18)15-13(16)10-4-2-1-3-5-10/h1-9H,14H2,(H,15,16)

InChIKey

PBCZLFBEBARBBI-UHFFFAOYSA-N

Compound name

N-(4-aminophenyl)sulfonylbenzamide

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 52
References: 5513
Patents: 276.05685 Da
Monoisotopic Mass: 0.7
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]+	277.064126	159.4
[M+Na]+	299.046068	166.4
[M-H]-	275.049574	165.8
[M+NH4]+	294.090673	174.6
[M+K]+	315.020008	162.0
[M+H-H2O]+	259.054110	151.9
[M+HCOO]-	321.055051	178.9
[M+CH3COO]-	335.070701	197.7
[M+Na-2H]-	297.031516	164.2
[M]+	276.05630142	159.2
[M]-	276.05739858	159.2

Literature stripe

literature stripe

Patent stripe

patents stripe