CID 720926

[(chloroacetyl)amino](diphenyl)acetic acid

Structural Information

Molecular Formula
C16H14ClNO3
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)O)NC(=O)CCl
InChI
InChI=1S/C16H14ClNO3/c17-11-14(19)18-16(15(20)21,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H,18,19)(H,20,21)
InChIKey
SCVPLKKOUBEWQK-UHFFFAOYSA-N
Compound name
2-[(2-chloroacetyl)amino]-2,2-diphenylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.06622 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.07350 168.5
[M+Na]+ 326.05544 180.6
[M+NH4]+ 321.10004 175.5
[M+K]+ 342.02938 174.5
[M-H]- 302.05894 171.2
[M+Na-2H]- 324.04089 176.5
[M]+ 303.06567 171.2
[M]- 303.06677 171.2
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

No patent data available for this compound.