CID 283201

3,4-dibenzoylhexane-2,5-dione

Structural Information

Molecular Formula
C20H18O4
SMILES
CC(=O)C(C(C(=O)C)C(=O)C1=CC=CC=C1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C20H18O4/c1-13(21)17(19(23)15-9-5-3-6-10-15)18(14(2)22)20(24)16-11-7-4-8-12-16/h3-12,17-18H,1-2H3
InChIKey
IIHNJBVVXUOWFC-UHFFFAOYSA-N
Compound name
3,4-dibenzoylhexane-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.1205 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.12778 173.2
[M+Na]+ 345.10972 184.0
[M+NH4]+ 340.15432 178.7
[M+K]+ 361.08366 179.9
[M-H]- 321.11322 174.9
[M+Na-2H]- 343.09517 179.3
[M]+ 322.11995 174.9
[M]- 322.12105 174.9
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.