CID 1322543

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

Structural Information

Molecular Formula
C14H11Cl2NO5S
SMILES
COC1=CC=CC=C1NS(=O)(=O)C2=C(C=C(C(=C2)C(=O)O)Cl)Cl
InChI
InChI=1S/C14H11Cl2NO5S/c1-22-12-5-3-2-4-11(12)17-23(20,21)13-6-8(14(18)19)9(15)7-10(13)16/h2-7,17H,1H3,(H,18,19)
InChIKey
RSDVFDFGJSGSEX-UHFFFAOYSA-N
Compound name
2,4-dichloro-5-[(2-methoxyphenyl)sulfamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

374.9735 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.980776 174.5
[M+Na]+ 397.962718 184.2
[M-H]- 373.966224 180.7
[M+NH4]+ 393.007323 187.7
[M+K]+ 413.936658 178.3
[M+H-H2O]+ 357.970760 169.7
[M+HCOO]- 419.971701 182.8
[M+CH3COO]- 433.987351 210.4
[M+Na-2H]- 395.948166 176.6
[M]+ 374.97295142 182.1
[M]- 374.97404858 182.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.