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 167.0
[M+Na]+ 326.05544 172.5
[M-H]- 302.05894 171.9
[M+NH4]+ 321.10004 181.1
[M+K]+ 342.02938 167.4
[M+H-H2O]+ 286.06348 160.4
[M+HCOO]- 348.06442 183.2
[M+CH3COO]- 362.08007 200.0
[M+Na-2H]- 324.04089 172.0
[M]+ 303.06567 167.7
[M]- 303.06677 167.7
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.