CID 69432

631-93-6

Structural Information

Molecular Formula
C13H11Cl2NO2S
SMILES
CN(C1=CC=C(C=C1)Cl)S(=O)(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H11Cl2NO2S/c1-16(12-6-2-10(14)3-7-12)19(17,18)13-8-4-11(15)5-9-13/h2-9H,1H3
InChIKey
UXBUOQYOERKCRY-UHFFFAOYSA-N
Compound name
4-chloro-N-(4-chlorophenyl)-N-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

314.98877 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.99605 164.2
[M+Na]+ 337.97799 174.2
[M-H]- 313.98149 172.5
[M+NH4]+ 333.02259 181.1
[M+K]+ 353.95193 168.5
[M+H-H2O]+ 297.98603 158.7
[M+HCOO]- 359.98697 174.8
[M+CH3COO]- 374.00262 204.2
[M+Na-2H]- 335.96344 167.8
[M]+ 314.98822 170.7
[M]- 314.98932 170.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe