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]+ 359.98586 177.8
[M+Na]+ 381.96780 191.4
[M+NH4]+ 377.01240 184.6
[M+K]+ 397.94174 183.3
[M-H]- 357.97130 180.2
[M+Na-2H]- 379.95325 184.3
[M]+ 358.97803 181.4
[M]- 358.97913 181.4
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.