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]+ 375.98078 174.5
[M+Na]+ 397.96272 184.2
[M-H]- 373.96622 180.7
[M+NH4]+ 393.00732 187.7
[M+K]+ 413.93666 178.3
[M+H-H2O]+ 357.97076 169.7
[M+HCOO]- 419.97170 182.8
[M+CH3COO]- 433.98735 210.4
[M+Na-2H]- 395.94817 176.6
[M]+ 374.97295 182.1
[M]- 374.97405 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.