CID 4991549

4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]benzoic acid

Structural Information

Molecular Formula
C15H14ClNO5S
SMILES
CCOC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl
InChI
InChI=1S/C15H14ClNO5S/c1-2-22-12-6-4-11(5-7-12)17-23(20,21)14-9-10(15(18)19)3-8-13(14)16/h3-9,17H,2H2,1H3,(H,18,19)
InChIKey
CEXKOJCWOWNCGM-UHFFFAOYSA-N
Compound name
4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.0281 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.03538 174.9
[M+Na]+ 378.01732 183.1
[M-H]- 354.02082 180.9
[M+NH4]+ 373.06192 188.0
[M+K]+ 393.99126 177.9
[M+H-H2O]+ 338.02536 168.6
[M+HCOO]- 400.02630 187.7
[M+CH3COO]- 414.04195 207.9
[M+Na-2H]- 376.00277 177.6
[M]+ 355.02755 181.2
[M]- 355.02865 181.2
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.