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

29
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 162.2
[M+Na]+ 314.04574 172.8
[M+NH4]+ 309.09034 168.6
[M+K]+ 330.01968 166.5
[M-H]- 290.04924 164.3
[M+Na-2H]- 312.03119 169.6
[M]+ 291.05597 164.6
[M]- 291.05707 164.6
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