CID 520513

1-[2-(benzyloxy)phenyl]ethan-1-one

Structural Information

Molecular Formula

C₁₅H₁₄O₂

SMILES

CC(=O)C1=CC=CC=C1OCC2=CC=CC=C2

InChI

InChI=1S/C15H14O2/c1-12(16)14-9-5-6-10-15(14)17-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3

InChIKey

ZJABPUSDYOXUKS-UHFFFAOYSA-N

Compound name

1-(2-phenylmethoxyphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 285
Patents: 226.09938 Da
Monoisotopic Mass: 3.1
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]+	227.106656	149.9
[M+Na]+	249.088598	157.0
[M-H]-	225.092104	156.6
[M+NH4]+	244.133203	167.7
[M+K]+	265.062538	153.9
[M+H-H2O]+	209.096640	142.5
[M+HCOO]-	271.097581	173.6
[M+CH3COO]-	285.113231	190.2
[M+Na-2H]-	247.074046	155.5
[M]+	226.09883142	151.2
[M]-	226.09992858	151.2

Literature stripe

literature stripe

Patent stripe

patents stripe