CID 2368817

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

Structural Information

Molecular Formula
C15H12Cl3NO6S
SMILES
COC1=CC(=C(C=C1NS(=O)(=O)C2=C(C=C(C(=C2)C(=O)O)Cl)Cl)Cl)OC
InChI
InChI=1S/C15H12Cl3NO6S/c1-24-12-6-13(25-2)11(5-9(12)17)19-26(22,23)14-3-7(15(20)21)8(16)4-10(14)18/h3-6,19H,1-2H3,(H,20,21)
InChIKey
GZRALVIQOKBQGS-UHFFFAOYSA-N
Compound name
2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.9451 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.95238 184.0
[M+Na]+ 461.93432 194.2
[M-H]- 437.93782 189.8
[M+NH4]+ 456.97892 195.3
[M+K]+ 477.90826 189.0
[M+H-H2O]+ 421.94236 180.4
[M+HCOO]- 483.94330 187.1
[M+CH3COO]- 497.95895 222.5
[M+Na-2H]- 459.91977 184.2
[M]+ 438.94455 194.3
[M]- 438.94565 194.3
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.