CID 103960

N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide

Structural Information

Molecular Formula

C₁₂H₉Cl₂NO₃S

SMILES

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

InChI

InChI=1S/C12H9Cl2NO3S/c13-10-6-8(7-11(14)12(10)16)15-19(17,18)9-4-2-1-3-5-9/h1-7,15-16H

InChIKey

KFPBEVFQCXRYIR-UHFFFAOYSA-N

Compound name

N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2041
Patents: 316.96802 Da
Monoisotopic Mass: 3.3
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]+	317.975296	162.6
[M+Na]+	339.957238	173.1
[M-H]-	315.960744	168.6
[M+NH4]+	335.001843	178.3
[M+K]+	355.931178	166.1
[M+H-H2O]+	299.965280	158.1
[M+HCOO]-	361.966221	171.9
[M+CH3COO]-	375.981871	198.9
[M+Na-2H]-	337.942686	166.6
[M]+	316.96747142	167.5
[M]-	316.96856858	167.5

Literature stripe

literature stripe

Patent stripe

patents stripe