CID 266865

2,5-dibenzoylcyclopentanone

Structural Information

Molecular Formula
C19H16O3
SMILES
C1CC(C(=O)C1C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C19H16O3/c20-17(13-7-3-1-4-8-13)15-11-12-16(19(15)22)18(21)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
InChIKey
GKAMWXSVEFELHK-UHFFFAOYSA-N
Compound name
2,5-dibenzoylcyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.10995 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.11723 167.6
[M+Na]+ 315.09917 173.0
[M-H]- 291.10267 177.0
[M+NH4]+ 310.14377 183.7
[M+K]+ 331.07311 168.9
[M+H-H2O]+ 275.10721 159.6
[M+HCOO]- 337.10815 188.7
[M+CH3COO]- 351.12380 201.2
[M+Na-2H]- 313.08462 166.9
[M]+ 292.10940 165.3
[M]- 292.11050 165.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.