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: 9
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]+	269.11723	161.9
[M+Na]+	291.09917	175.6
[M+NH4]+	286.14377	169.6
[M+K]+	307.07311	168.4
[M-H]-	267.10267	165.6
[M+Na-2H]-	289.08462	170.4
[M]+	268.10940	164.9
[M]-	268.11050	164.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe