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]+ 379.931226 172.3
[M+Na]+ 401.913168 182.5
[M-H]- 377.916674 177.6
[M+NH4]+ 396.957773 185.6
[M+K]+ 417.887108 175.8
[M+H-H2O]+ 361.921210 168.8
[M+HCOO]- 423.922151 175.5
[M+CH3COO]- 437.937801 210.1
[M+Na-2H]- 399.898616 173.7
[M]+ 378.92340142 178.4
[M]- 378.92449858 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.