CID 280707

Phenyl[(phenylsulfonyl)amino]acetic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

291.05652 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.063796 163.0
[M+Na]+ 314.045738 168.4
[M-H]- 290.049244 168.1
[M+NH4]+ 309.090343 176.9
[M+K]+ 330.019678 164.5
[M+H-H2O]+ 274.053780 155.6
[M+HCOO]- 336.054721 179.4
[M+CH3COO]- 350.070371 196.2
[M+Na-2H]- 312.031186 167.1
[M]+ 291.05597142 163.4
[M]- 291.05706858 163.4
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