CID 4788

Phloretin

Structural Information

Molecular Formula
C15H14O5
SMILES
C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)O)O)O
InChI
InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2
InChIKey
VGEREEWJJVICBM-UHFFFAOYSA-N
Compound name
3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

1653
References

8334
Patents

274.08414 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.09142 161.5
[M+Na]+ 297.07336 173.9
[M+NH4]+ 292.11796 167.3
[M+K]+ 313.04730 169.3
[M-H]- 273.07686 162.8
[M+Na-2H]- 295.05881 166.9
[M]+ 274.08359 163.4
[M]- 274.08469 163.4
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

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