CID 2345535

379729-79-0

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]+ 405.991346 180.7
[M+Na]+ 427.973288 190.4
[M-H]- 403.976794 187.0
[M+NH4]+ 423.017893 192.8
[M+K]+ 443.947228 185.3
[M+H-H2O]+ 387.981330 175.8
[M+HCOO]- 449.982271 188.8
[M+CH3COO]- 463.997921 216.8
[M+Na-2H]- 425.958736 182.1
[M]+ 404.98352142 190.5
[M]- 404.98461858 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.