CID 2333505

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

Structural Information

Molecular Formula
C14H13NO5S
SMILES
COC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C14H13NO5S/c1-20-13-5-3-2-4-12(13)15-21(18,19)11-8-6-10(7-9-11)14(16)17/h2-9,15H,1H3,(H,16,17)
InChIKey
HZJZEEWZSYAYKT-UHFFFAOYSA-N
Compound name
4-[(2-methoxyphenyl)sulfamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

307.05145 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.05873 166.2
[M+Na]+ 330.04067 177.3
[M+NH4]+ 325.08527 172.1
[M+K]+ 346.01461 171.1
[M-H]- 306.04417 168.1
[M+Na-2H]- 328.02612 172.9
[M]+ 307.05090 168.6
[M]- 307.05200 168.6
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

patents stripe