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: 8499
Patents: 274.08414 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	275.091416	159.8
[M+Na]+	297.073358	167.3
[M-H]-	273.076864	162.0
[M+NH4]+	292.117963	173.4
[M+K]+	313.047298	163.0
[M+H-H2O]+	257.081400	153.2
[M+HCOO]-	319.082341	177.9
[M+CH3COO]-	333.097991	190.9
[M+Na-2H]-	295.058806	161.5
[M]+	274.08359142	159.3
[M]-	274.08468858	159.3

Literature stripe

literature stripe

Patent stripe

patents stripe