CID 78246

P-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

3
Annotation Hits: 0
References: 359
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]+	241.122316	154.6
[M+Na]+	263.104258	161.2
[M-H]-	239.107764	161.1
[M+NH4]+	258.148863	171.8
[M+K]+	279.078198	157.9
[M+H-H2O]+	223.112300	147.0
[M+HCOO]-	285.113241	178.0
[M+CH3COO]-	299.128891	193.2
[M+Na-2H]-	261.089706	159.7
[M]+	240.11449142	156.3
[M]-	240.11558858	156.3

Literature stripe

literature stripe

Patent stripe

patents stripe