CID 684905

3-benzylsulfamoyl-benzoic acid

Structural Information

Molecular Formula
C14H13NO4S
SMILES
C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=CC(=C2)C(=O)O
InChI
InChI=1S/C14H13NO4S/c16-14(17)12-7-4-8-13(9-12)20(18,19)15-10-11-5-2-1-3-6-11/h1-9,15H,10H2,(H,16,17)
InChIKey
IPSYRXPRMAIAKO-UHFFFAOYSA-N
Compound name
3-(benzylsulfamoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

291.05652 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.06380 163.0
[M+Na]+ 314.04574 174.3
[M+NH4]+ 309.09034 169.5
[M+K]+ 330.01968 167.4
[M-H]- 290.04924 165.4
[M+Na-2H]- 312.03119 170.4
[M]+ 291.05597 165.6
[M]- 291.05707 165.6
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