CID 3571293

16094-85-2

Structural Information

Molecular Formula

C₂₀H₁₈O₃

SMILES

C1CC(C(=O)C(C1)C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H18O3/c21-18(14-8-3-1-4-9-14)16-12-7-13-17(20(16)23)19(22)15-10-5-2-6-11-15/h1-6,8-11,16-17H,7,12-13H2

InChIKey

RVBGQHCKEMNVJQ-UHFFFAOYSA-N

Compound name

2,6-dibenzoylcyclohexan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 306.12558 Da
Monoisotopic Mass: 4.2
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]+	307.132856	171.0
[M+Na]+	329.114798	175.0
[M-H]-	305.118304	179.6
[M+NH4]+	324.159403	184.4
[M+K]+	345.088738	170.7
[M+H-H2O]+	289.122840	161.9
[M+HCOO]-	351.123781	189.4
[M+CH3COO]-	365.139431	204.8
[M+Na-2H]-	327.100246	171.5
[M]+	306.12503142	166.7
[M]-	306.12612858	166.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe