CID 3571293

Cyclohexanone, 2,6-dibenzoyl-

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

15
Patents

306.12558 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.13286 171.0
[M+Na]+ 329.11480 175.0
[M-H]- 305.11830 179.6
[M+NH4]+ 324.15940 184.4
[M+K]+ 345.08874 170.7
[M+H-H2O]+ 289.12284 161.9
[M+HCOO]- 351.12378 189.4
[M+CH3COO]- 365.13943 204.8
[M+Na-2H]- 327.10025 171.5
[M]+ 306.12503 166.7
[M]- 306.12613 166.7
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