CID 5280443

Apigenin

Structural Information

Molecular Formula

C₁₅H₁₀O₅

SMILES

C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O

InChI

InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H

InChIKey

KZNIFHPLKGYRTM-UHFFFAOYSA-N

Compound name

5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 4304
References: 30236
Patents: 270.05283 Da
Monoisotopic Mass: 1.7
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]+	271.060106	155.9
[M+Na]+	293.042048	166.7
[M-H]-	269.045554	161.9
[M+NH4]+	288.086653	170.4
[M+K]+	309.015988	163.2
[M+H-H2O]+	253.050090	149.0
[M+HCOO]-	315.051031	175.4
[M+CH3COO]-	329.066681	168.6
[M+Na-2H]-	291.027496	162.6
[M]+	270.05228142	157.9
[M]-	270.05337858	157.9

Literature stripe

literature stripe

Patent stripe

patents stripe