CID 38839

Methoxyphenone

Structural Information

Molecular Formula

C₁₆H₁₆O₂

SMILES

CC1=CC(=CC=C1)C(=O)C2=CC(=C(C=C2)OC)C

InChI

InChI=1S/C16H16O2/c1-11-5-4-6-13(9-11)16(17)14-7-8-15(18-3)12(2)10-14/h4-10H,1-3H3

InChIKey

BWPYBAJTDILQPY-UHFFFAOYSA-N

Compound name

(4-methoxy-3-methylphenyl)-(3-methylphenyl)methanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 16789
Patents: 240.11504 Da
Monoisotopic Mass: 4.0
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	154.4
[M+Na]+	263.10426	170.0
[M+NH4]+	258.14886	163.3
[M+K]+	279.07820	162.1
[M-H]-	239.10776	159.3
[M+Na-2H]-	261.08971	163.8
[M]+	240.11449	158.2
[M]-	240.11559	158.2

Literature stripe

literature stripe

Patent stripe

patents stripe