CID 60999

Benzyl phenylacetate

Structural Information

Molecular Formula

C₁₅H₁₄O₂

SMILES

C1=CC=C(C=C1)CC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C15H14O2/c16-15(11-13-7-3-1-4-8-13)17-12-14-9-5-2-6-10-14/h1-10H,11-12H2

InChIKey

MIYFJEKZLFWKLZ-UHFFFAOYSA-N

Compound name

benzyl 2-phenylacetate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 6
References: 6227
Patents: 226.09938 Da
Monoisotopic Mass: 3.2
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]+	227.10666	151.4
[M+Na]+	249.08860	166.1
[M+NH4]+	244.13320	160.5
[M+K]+	265.06254	157.8
[M-H]-	225.09210	156.2
[M+Na-2H]-	247.07405	161.6
[M]+	226.09883	155.0
[M]-	226.09993	155.0

Literature stripe

literature stripe

Patent stripe

patents stripe