CID 2317300

3-[(2-carboxyphenyl)sulfamoyl]-4-chlorobenzoic acid

Structural Information

Molecular Formula
C14H10ClNO6S
SMILES
C1=CC=C(C(=C1)C(=O)O)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl
InChI
InChI=1S/C14H10ClNO6S/c15-10-6-5-8(13(17)18)7-12(10)23(21,22)16-11-4-2-1-3-9(11)14(19)20/h1-7,16H,(H,17,18)(H,19,20)
InChIKey
MPCKNMJFCAXLMU-UHFFFAOYSA-N
Compound name
3-[(2-carboxyphenyl)sulfamoyl]-4-chlorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.99173 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.99901 171.3
[M+Na]+ 377.98095 179.1
[M-H]- 353.98445 176.2
[M+NH4]+ 373.02555 183.3
[M+K]+ 393.95489 174.0
[M+H-H2O]+ 337.98899 165.6
[M+HCOO]- 399.98993 182.3
[M+CH3COO]- 414.00558 205.2
[M+Na-2H]- 375.96640 173.5
[M]+ 354.99118 175.6
[M]- 354.99228 175.6
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.