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

147
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

literature stripe

Patent stripe

patents stripe