CID 185795

Apiferol

Structural Information

Molecular Formula

C₁₅H₁₄O₅

SMILES

C1C(C2=C(C=C(C=C2OC1C3=CC=C(C=C3)O)O)O)O

InChI

InChI=1S/C15H14O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,12-13,16-19H,7H2

InChIKey

RPKUCYSGAXIESU-UHFFFAOYSA-N

Compound name

2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-4,5,7-triol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 528
Patents: 274.08414 Da
Monoisotopic Mass: 1.6
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]+	275.09142	159.1
[M+Na]+	297.07336	167.2
[M-H]-	273.07686	162.9
[M+NH4]+	292.11796	172.6
[M+K]+	313.04730	163.7
[M+H-H2O]+	257.08140	152.5
[M+HCOO]-	319.08234	174.0
[M+CH3COO]-	333.09799	191.0
[M+Na-2H]-	295.05881	163.5
[M]+	274.08359	157.2
[M]-	274.08469	157.2

Literature stripe

literature stripe

Patent stripe

patents stripe