CID 3810386

4-chloro-3-[(2,5-dichlorophenyl)sulfamoyl]benzoic acid

Structural Information

Molecular Formula
C13H8Cl3NO4S
SMILES
C1=CC(=C(C=C1C(=O)O)S(=O)(=O)NC2=C(C=CC(=C2)Cl)Cl)Cl
InChI
InChI=1S/C13H8Cl3NO4S/c14-8-2-4-9(15)11(6-8)17-22(20,21)12-5-7(13(18)19)1-3-10(12)16/h1-6,17H,(H,18,19)
InChIKey
UUYRUEZVHAGNDD-UHFFFAOYSA-N
Compound name
4-chloro-3-[(2,5-dichlorophenyl)sulfamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.92395 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.93123 172.3
[M+Na]+ 401.91317 182.5
[M-H]- 377.91667 177.6
[M+NH4]+ 396.95777 185.6
[M+K]+ 417.88711 175.8
[M+H-H2O]+ 361.92121 168.8
[M+HCOO]- 423.92215 175.5
[M+CH3COO]- 437.93780 210.1
[M+Na-2H]- 399.89862 173.7
[M]+ 378.92340 178.4
[M]- 378.92450 178.4
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

No patent data available for this compound.