CID 2756708

57477-98-2

Structural Information

Molecular Formula

C₁₇H₁₆O₃

SMILES

CCOC(=O)CC(=O)C1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C17H16O3/c1-2-20-17(19)12-16(18)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3

InChIKey

MJCRLYUYIXGGAX-UHFFFAOYSA-N

Compound name

ethyl 3-oxo-3-(4-phenylphenyl)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 268.10995 Da
Monoisotopic Mass: 3.5
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]+	269.117226	161.6
[M+Na]+	291.099168	167.7
[M-H]-	267.102674	168.0
[M+NH4]+	286.143773	177.4
[M+K]+	307.073108	164.6
[M+H-H2O]+	251.107210	153.7
[M+HCOO]-	313.108151	184.0
[M+CH3COO]-	327.123801	197.6
[M+Na-2H]-	289.084616	164.9
[M]+	268.10940142	163.6
[M]-	268.11049858	163.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe