CID 2396435

3-{[(4-chlorophenyl)methyl]sulfamoyl}-4-methoxybenzoic acid

Structural Information

Molecular Formula
C15H14ClNO5S
SMILES
COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NCC2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H14ClNO5S/c1-22-13-7-4-11(15(18)19)8-14(13)23(20,21)17-9-10-2-5-12(16)6-3-10/h2-8,17H,9H2,1H3,(H,18,19)
InChIKey
DEIJFDZNLYJJDJ-UHFFFAOYSA-N
Compound name
3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.0281 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.03538 177.3
[M+Na]+ 378.01732 189.3
[M+NH4]+ 373.06192 183.3
[M+K]+ 393.99126 182.2
[M-H]- 354.02082 179.2
[M+Na-2H]- 376.00277 183.6
[M]+ 355.02755 180.2
[M]- 355.02865 180.2
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.