CID 8433

Dibenzoylmethane

Structural Information

Molecular Formula
C15H12O2
SMILES
C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2
InChI
InChI=1S/C15H12O2/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-10H,11H2
InChIKey
NZZIMKJIVMHWJC-UHFFFAOYSA-N
Compound name
1,3-diphenylpropane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

200
References

40772
Patents

224.08372 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.090996 149.3
[M+Na]+ 247.072938 155.4
[M-H]- 223.076444 155.7
[M+NH4]+ 242.117543 166.6
[M+K]+ 263.046878 152.1
[M+H-H2O]+ 207.080980 141.9
[M+HCOO]- 269.081921 172.2
[M+CH3COO]- 283.097571 189.2
[M+Na-2H]- 245.058386 154.4
[M]+ 224.08317142 148.9
[M]- 224.08426858 148.9
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

patents stripe