CID 71370877

65148-83-6

Structural Information

Molecular Formula

C₁₆H₁₃Cl₂NO₃

SMILES

C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)C(=O)NCC(=O)O)Cl

InChI

InChI=1S/C16H13Cl2NO3/c17-11-7-5-10(6-8-11)15(16(22)19-9-14(20)21)12-3-1-2-4-13(12)18/h1-8,15H,9H2,(H,19,22)(H,20,21)

InChIKey

KIALAYFXXWVUPQ-UHFFFAOYSA-N

Compound name

2-[[2-(2-chlorophenyl)-2-(4-chlorophenyl)acetyl]amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 337.02725 Da
Monoisotopic Mass: 3.7
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]+	338.034526	171.3
[M+Na]+	360.016468	178.5
[M-H]-	336.019974	176.1
[M+NH4]+	355.061073	185.1
[M+K]+	375.990408	172.3
[M+H-H2O]+	320.024510	165.7
[M+HCOO]-	382.025451	183.3
[M+CH3COO]-	396.041101	207.3
[M+Na-2H]-	358.001916	172.3
[M]+	337.02670142	174.3
[M]-	337.02779858	174.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.