CID 2345535

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

Structural Information

Molecular Formula
C15H13Cl2NO6S
SMILES
COC1=CC(=C(C=C1NS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl)Cl)OC
InChI
InChI=1S/C15H13Cl2NO6S/c1-23-12-7-13(24-2)11(6-10(12)17)18-25(21,22)14-5-8(15(19)20)3-4-9(14)16/h3-7,18H,1-2H3,(H,19,20)
InChIKey
BIUWYBFALMYJQC-UHFFFAOYSA-N
Compound name
4-chloro-3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.98407 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.99135 180.7
[M+Na]+ 427.97329 190.4
[M-H]- 403.97679 187.0
[M+NH4]+ 423.01789 192.8
[M+K]+ 443.94723 185.3
[M+H-H2O]+ 387.98133 175.8
[M+HCOO]- 449.98227 188.8
[M+CH3COO]- 463.99792 216.8
[M+Na-2H]- 425.95874 182.1
[M]+ 404.98352 190.5
[M]- 404.98462 190.5
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.