CID 78246

4-benzyloxypropiophenone

Structural Information

Molecular Formula

C₁₆H₁₆O₂

SMILES

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

InChI

InChI=1S/C16H16O2/c1-2-16(17)14-8-10-15(11-9-14)18-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3

InChIKey

IKFGSOJYHVTNDV-UHFFFAOYSA-N

Compound name

1-(4-phenylmethoxyphenyl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 278
Patents: 240.11504 Da
Monoisotopic Mass: 3.9
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]+	241.12232	155.3
[M+Na]+	263.10426	170.1
[M+NH4]+	258.14886	164.2
[M+K]+	279.07820	161.8
[M-H]-	239.10776	160.1
[M+Na-2H]-	261.08971	165.1
[M]+	240.11449	158.9
[M]-	240.11559	158.9

Literature stripe

literature stripe

Patent stripe

patents stripe