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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	304.073496	167.0
[M+Na]+	326.055438	172.5
[M-H]-	302.058944	171.9
[M+NH4]+	321.100043	181.1
[M+K]+	342.029378	167.4
[M+H-H2O]+	286.063480	160.4
[M+HCOO]-	348.064421	183.2
[M+CH3COO]-	362.080071	200.0
[M+Na-2H]-	324.040886	172.0
[M]+	303.06567142	167.7
[M]-	303.06676858	167.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.