CID 3517367

4-chloro-3-[(3-chloro-4-methylphenyl)sulfamoyl]benzoic acid

Structural Information

Molecular Formula
C14H11Cl2NO4S
SMILES
CC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl)Cl
InChI
InChI=1S/C14H11Cl2NO4S/c1-8-2-4-10(7-12(8)16)17-22(20,21)13-6-9(14(18)19)3-5-11(13)15/h2-7,17H,1H3,(H,18,19)
InChIKey
NVBDESMQYRNCMG-UHFFFAOYSA-N
Compound name
4-chloro-3-[(3-chloro-4-methylphenyl)sulfamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.97858 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.985856 172.1
[M+Na]+ 381.967798 182.1
[M-H]- 357.971304 178.3
[M+NH4]+ 377.012403 186.1
[M+K]+ 397.941738 175.5
[M+H-H2O]+ 341.975840 167.6
[M+HCOO]- 403.976781 180.2
[M+CH3COO]- 417.992431 208.2
[M+Na-2H]- 379.953246 173.9
[M]+ 358.97803142 178.4
[M]- 358.97912858 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.