CID 2310678

4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzoic acid

Structural Information

Molecular Formula
C14H12ClNO5S
SMILES
COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl
InChI
InChI=1S/C14H12ClNO5S/c1-21-12-5-3-2-4-11(12)16-22(19,20)13-8-9(14(17)18)6-7-10(13)15/h2-8,16H,1H3,(H,17,18)
InChIKey
JCOHBJPHMWCXHF-UHFFFAOYSA-N
Compound name
4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.01248 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.01976 170.5
[M+Na]+ 364.00170 179.2
[M-H]- 340.00520 176.7
[M+NH4]+ 359.04630 184.2
[M+K]+ 379.97564 174.1
[M+H-H2O]+ 324.00974 164.4
[M+HCOO]- 386.01068 183.7
[M+CH3COO]- 400.02633 204.9
[M+Na-2H]- 361.98715 173.7
[M]+ 341.01193 176.4
[M]- 341.01303 176.4
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.