CID 295195

3',4-dichloro-2'-methylbenzenesulfonanilide

Structural Information

Molecular Formula
C13H11Cl2NO2S
SMILES
CC1=C(C=CC=C1Cl)NS(=O)(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H11Cl2NO2S/c1-9-12(15)3-2-4-13(9)16-19(17,18)11-7-5-10(14)6-8-11/h2-8,16H,1H3
InChIKey
WOCRPQALAZOIFS-UHFFFAOYSA-N
Compound name
4-chloro-N-(3-chloro-2-methylphenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

314.98877 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.99605 164.6
[M+Na]+ 337.97799 175.3
[M-H]- 313.98149 171.8
[M+NH4]+ 333.02259 181.2
[M+K]+ 353.95193 168.3
[M+H-H2O]+ 297.98603 159.6
[M+HCOO]- 359.98697 174.8
[M+CH3COO]- 374.00262 202.1
[M+Na-2H]- 335.96344 168.1
[M]+ 314.98822 170.2
[M]- 314.98932 170.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.