CID 751455

4-chloro-n-(2,3-dichlorophenyl)benzenesulfonamide

Structural Information

Molecular Formula

C₁₂H₈Cl₃NO₂S

SMILES

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

InChI

InChI=1S/C12H8Cl3NO2S/c13-8-4-6-9(7-5-8)19(17,18)16-11-3-1-2-10(14)12(11)15/h1-7,16H

InChIKey

YIBDTXXQBRJTCF-UHFFFAOYSA-N

Compound name

4-chloro-N-(2,3-dichlorophenyl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 334.93414 Da
Monoisotopic Mass: 3.9
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]+	335.94142	166.1
[M+Na]+	357.92336	176.9
[M-H]-	333.92686	172.3
[M+NH4]+	352.96796	181.8
[M+K]+	373.89730	169.7
[M+H-H2O]+	317.93140	162.0
[M+HCOO]-	379.93234	171.2
[M+CH3COO]-	393.94799	204.1
[M+Na-2H]-	355.90881	169.1
[M]+	334.93359	171.4
[M]-	334.93469	171.4

Literature stripe

literature stripe

Patent stripe

patents stripe