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
9
Annotation Hits

1664
References

8345
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 159.8
[M+Na]+ 297.07336 167.3
[M-H]- 273.07686 162.0
[M+NH4]+ 292.11796 173.4
[M+K]+ 313.04730 163.0
[M+H-H2O]+ 257.08140 153.2
[M+HCOO]- 319.08234 177.9
[M+CH3COO]- 333.09799 190.9
[M+Na-2H]- 295.05881 161.5
[M]+ 274.08359 159.3
[M]- 274.08469 159.3
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.