CID 985367

4-chloro-n-(2,4,5-trichlorophenyl)benzenesulfonamide

Structural Information

Molecular Formula
C12H7Cl4NO2S
SMILES
C1=CC(=CC=C1S(=O)(=O)NC2=CC(=C(C=C2Cl)Cl)Cl)Cl
InChI
InChI=1S/C12H7Cl4NO2S/c13-7-1-3-8(4-2-7)20(18,19)17-12-6-10(15)9(14)5-11(12)16/h1-6,17H
InChIKey
RFWDFKPDZLKEKU-UHFFFAOYSA-N
Compound name
4-chloro-N-(2,4,5-trichlorophenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.89517 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.90245 172.3
[M+Na]+ 391.88439 183.0
[M-H]- 367.88789 177.0
[M+NH4]+ 386.92899 186.5
[M+K]+ 407.85833 176.1
[M+H-H2O]+ 351.89243 169.0
[M+HCOO]- 413.89337 171.8
[M+CH3COO]- 427.90902 210.5
[M+Na-2H]- 389.86984 173.2
[M]+ 368.89462 177.0
[M]- 368.89572 177.0
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