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

30
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 163.0
[M+Na]+ 314.04574 168.4
[M-H]- 290.04924 168.1
[M+NH4]+ 309.09034 176.9
[M+K]+ 330.01968 164.5
[M+H-H2O]+ 274.05378 155.6
[M+HCOO]- 336.05472 179.4
[M+CH3COO]- 350.07037 196.2
[M+Na-2H]- 312.03119 167.1
[M]+ 291.05597 163.4
[M]- 291.05707 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