CID 12725669

86428-83-3

Structural Information

Molecular Formula

C₂₀H₁₆O

SMILES

CC1=CC(=CC=C1)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H16O/c1-15-6-5-9-19(14-15)20(21)18-12-10-17(11-13-18)16-7-3-2-4-8-16/h2-14H,1H3

InChIKey

MYYLFDRHMOSOJJ-UHFFFAOYSA-N

Compound name

(3-methylphenyl)-(4-phenylphenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 931
Patents: 272.12012 Da
Monoisotopic Mass: 5.3
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]+	273.12740	163.5
[M+Na]+	295.10934	170.7
[M-H]-	271.11284	173.2
[M+NH4]+	290.15394	179.1
[M+K]+	311.08328	165.2
[M+H-H2O]+	255.11738	154.7
[M+HCOO]-	317.11832	186.5
[M+CH3COO]-	331.13397	175.6
[M+Na-2H]-	293.09479	168.1
[M]+	272.11957	162.7
[M]-	272.12067	162.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe