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]+ 323.127776 174.3
[M+Na]+ 345.109718 177.4
[M-H]- 321.113224 180.0
[M+NH4]+ 340.154323 186.9
[M+K]+ 361.083658 175.4
[M+H-H2O]+ 305.117760 166.3
[M+HCOO]- 367.118701 192.3
[M+CH3COO]- 381.134351 210.2
[M+Na-2H]- 343.095166 172.2
[M]+ 322.11995142 174.8
[M]- 322.12104858 174.8
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.