CID 11778945

3-hydroxyphloretin

Structural Information

Molecular Formula
C15H14O6
SMILES
C1=CC(=C(C=C1CCC(=O)C2=C(C=C(C=C2O)O)O)O)O
InChI
InChI=1S/C15H14O6/c16-9-6-13(20)15(14(21)7-9)11(18)4-2-8-1-3-10(17)12(19)5-8/h1,3,5-7,16-17,19-21H,2,4H2
InChIKey
CNABJBYLQABXJR-UHFFFAOYSA-N
Compound name
3-(3,4-dihydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

109
Patents

290.07904 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.08632 162.8
[M+Na]+ 313.06826 170.5
[M-H]- 289.07176 163.9
[M+NH4]+ 308.11286 175.1
[M+K]+ 329.04220 166.3
[M+H-H2O]+ 273.07630 156.3
[M+HCOO]- 335.07724 179.5
[M+CH3COO]- 349.09289 192.5
[M+Na-2H]- 311.05371 163.4
[M]+ 290.07849 162.3
[M]- 290.07959 162.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.