CID 2377201

4-[methyl(phenyl)sulfamoyl]benzoic acid

Structural Information

Molecular Formula
C14H13NO4S
SMILES
CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C14H13NO4S/c1-15(12-5-3-2-4-6-12)20(18,19)13-9-7-11(8-10-13)14(16)17/h2-10H,1H3,(H,16,17)
InChIKey
USOAJBIMCUIRFH-UHFFFAOYSA-N
Compound name
4-[methyl(phenyl)sulfamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

17
Patents

291.05652 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.06380 162.6
[M+Na]+ 314.04574 169.4
[M-H]- 290.04924 169.6
[M+NH4]+ 309.09034 177.6
[M+K]+ 330.01968 166.5
[M+H-H2O]+ 274.05378 155.2
[M+HCOO]- 336.05472 180.6
[M+CH3COO]- 350.07037 199.8
[M+Na-2H]- 312.03119 166.5
[M]+ 291.05597 165.4
[M]- 291.05707 165.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe