CID 310132

2',4,5'-trichlorobenzenesulfonanilide

Structural Information

Molecular Formula
C12H8Cl3NO2S
SMILES
C1=CC(=CC=C1S(=O)(=O)NC2=C(C=CC(=C2)Cl)Cl)Cl
InChI
InChI=1S/C12H8Cl3NO2S/c13-8-1-4-10(5-2-8)19(17,18)16-12-7-9(14)3-6-11(12)15/h1-7,16H
InChIKey
LIFCXMXVGPATSI-UHFFFAOYSA-N
Compound name
4-chloro-N-(2,5-dichlorophenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

334.93414 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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