CID 86142500

2,5,7-trihydroxyflavanone dibenzoylmethane tautomer

Structural Information

Molecular Formula
C15H12O5
SMILES
C1=CC=C(C=C1)C(=O)CC(=O)C2=C(C=C(C=C2O)O)O
InChI
InChI=1S/C15H12O5/c16-10-6-12(18)15(13(19)7-10)14(20)8-11(17)9-4-2-1-3-5-9/h1-7,16,18-19H,8H2
InChIKey
WLHWYWTVMPZGJG-UHFFFAOYSA-N
Compound name
1-phenyl-3-(2,4,6-trihydroxyphenyl)propane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

272.06848 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.07576 158.2
[M+Na]+ 295.05770 165.3
[M-H]- 271.06120 161.5
[M+NH4]+ 290.10230 172.1
[M+K]+ 311.03164 161.7
[M+H-H2O]+ 255.06574 151.4
[M+HCOO]- 317.06668 177.1
[M+CH3COO]- 331.08233 192.0
[M+Na-2H]- 293.04315 159.9
[M]+ 272.06793 157.8
[M]- 272.06903 157.8
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.