CID 2234493

3-(3,4-dichlorobenzenesulfonamido)benzoic acid

Structural Information

Molecular Formula
C13H9Cl2NO4S
SMILES
C1=CC(=CC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)Cl)C(=O)O
InChI
InChI=1S/C13H9Cl2NO4S/c14-11-5-4-10(7-12(11)15)21(19,20)16-9-3-1-2-8(6-9)13(17)18/h1-7,16H,(H,17,18)
InChIKey
AKPAXFIVLVXWKY-UHFFFAOYSA-N
Compound name
3-[(3,4-dichlorophenyl)sulfonylamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

344.96292 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.97020 168.0
[M+Na]+ 367.95214 177.7
[M-H]- 343.95564 174.0
[M+NH4]+ 362.99674 182.3
[M+K]+ 383.92608 171.2
[M+H-H2O]+ 327.96018 163.4
[M+HCOO]- 389.96112 176.5
[M+CH3COO]- 403.97677 204.1
[M+Na-2H]- 365.93759 170.9
[M]+ 344.96237 173.5
[M]- 344.96347 173.5
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.