CID 788021

4-amino-n-(4-chlorophenyl)benzenesulfonamide

Structural Information

Molecular Formula

C₁₂H₁₁ClN₂O₂S

SMILES

C1=CC(=CC=C1N)S(=O)(=O)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H11ClN2O2S/c13-9-1-5-11(6-2-9)15-18(16,17)12-7-3-10(14)4-8-12/h1-8,15H,14H2

InChIKey

RBJGYDGKXTYSSL-UHFFFAOYSA-N

Compound name

4-amino-N-(4-chlorophenyl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 5
Patents: 282.02298 Da
Monoisotopic Mass: 2.7
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]+	283.03026	160.1
[M+Na]+	305.01220	173.2
[M+NH4]+	300.05680	168.4
[M+K]+	320.98614	164.5
[M-H]-	281.01570	164.7
[M+Na-2H]-	302.99765	168.8
[M]+	282.02243	164.0
[M]-	282.02353	164.0

Literature stripe

literature stripe

Patent stripe

patents stripe