CID 3059716

77054-16-1

Structural Information

Molecular Formula
C20H18O3
SMILES
C1C(CC(=O)C(C1=O)C(=O)CC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H18O3/c21-17(11-14-7-3-1-4-8-14)20-18(22)12-16(13-19(20)23)15-9-5-2-6-10-15/h1-10,16,20H,11-13H2
InChIKey
KYDUFZZSUUSMLF-UHFFFAOYSA-N
Compound name
5-phenyl-2-(2-phenylacetyl)cyclohexane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

306.12558 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.13286 172.2
[M+Na]+ 329.11480 186.7
[M+NH4]+ 324.15940 180.3
[M+K]+ 345.08874 178.4
[M-H]- 305.11830 178.2
[M+Na-2H]- 327.10025 181.3
[M]+ 306.12503 176.0
[M]- 306.12613 176.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe