CID 2318068

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

Structural Information

Molecular Formula
C14H11Cl2NO4S
SMILES
CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O)Cl
InChI
InChI=1S/C14H11Cl2NO4S/c1-8-2-3-9(6-13(8)16)17-22(20,21)10-4-5-12(15)11(7-10)14(18)19/h2-7,17H,1H3,(H,18,19)
InChIKey
SDCKTRXYNWWKLT-UHFFFAOYSA-N
Compound name
2-chloro-5-[(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 172.1
[M+Na]+ 381.96780 182.1
[M-H]- 357.97130 178.3
[M+NH4]+ 377.01240 186.1
[M+K]+ 397.94174 175.5
[M+H-H2O]+ 341.97584 167.6
[M+HCOO]- 403.97678 180.2
[M+CH3COO]- 417.99243 208.2
[M+Na-2H]- 379.95325 173.9
[M]+ 358.97803 178.4
[M]- 358.97913 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.