CID 2330620

3-[(3-chlorophenyl)sulfamoyl]-4-methylbenzoic acid

Structural Information

Molecular Formula
C14H12ClNO4S
SMILES
CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C14H12ClNO4S/c1-9-5-6-10(14(17)18)7-13(9)21(19,20)16-12-4-2-3-11(15)8-12/h2-8,16H,1H3,(H,17,18)
InChIKey
GDSRKKAEEKYVAQ-UHFFFAOYSA-N
Compound name
3-[(3-chlorophenyl)sulfamoyl]-4-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.01755 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.02483 170.3
[M+Na]+ 348.00677 183.0
[M+NH4]+ 343.05137 177.0
[M+K]+ 363.98071 175.6
[M-H]- 324.01027 172.8
[M+Na-2H]- 345.99222 177.2
[M]+ 325.01700 173.5
[M]- 325.01810 173.5
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.