CID 80432

1,3-dibenzoylpropane

Structural Information

Molecular Formula
C17H16O2
SMILES
C1=CC=C(C=C1)C(=O)CCCC(=O)C2=CC=CC=C2
InChI
InChI=1S/C17H16O2/c18-16(14-8-3-1-4-9-14)12-7-13-17(19)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2
InChIKey
YOLLTWVIOASMFW-UHFFFAOYSA-N
Compound name
1,5-diphenylpentane-1,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

117
Patents

252.11504 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.12232 158.7
[M+Na]+ 275.10426 163.9
[M-H]- 251.10776 164.7
[M+NH4]+ 270.14886 174.9
[M+K]+ 291.07820 160.2
[M+H-H2O]+ 235.11230 150.8
[M+HCOO]- 297.11324 180.9
[M+CH3COO]- 311.12889 195.1
[M+Na-2H]- 273.08971 162.7
[M]+ 252.11449 159.0
[M]- 252.11559 159.0
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

patents stripe