CID 16768795

142500-00-3

Structural Information

Molecular Formula

C₁₅H₁₄O₂

SMILES

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

InChI

InChI=1S/C15H14O2/c1-11(16)13-8-9-15(17-2)14(10-13)12-6-4-3-5-7-12/h3-10H,1-2H3

InChIKey

CDAYYHVTEXXQJQ-UHFFFAOYSA-N

Compound name

1-(4-methoxy-3-phenylphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
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]+	227.106656	149.2
[M+Na]+	249.088598	157.2
[M-H]-	225.092104	156.3
[M+NH4]+	244.133203	167.4
[M+K]+	265.062538	154.2
[M+H-H2O]+	209.096640	142.0
[M+HCOO]-	271.097581	172.9
[M+CH3COO]-	285.113231	191.4
[M+Na-2H]-	247.074046	154.2
[M]+	226.09883142	151.0
[M]-	226.09992858	151.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe