CID 12132870

Alfalone

Structural Information

Molecular Formula

C₁₇H₁₄O₅

SMILES

COC1=CC=C(C=C1)C2=COC3=CC(=C(C=C3C2=O)O)OC

InChI

InChI=1S/C17H14O5/c1-20-11-5-3-10(4-6-11)13-9-22-15-8-16(21-2)14(18)7-12(15)17(13)19/h3-9,18H,1-2H3

InChIKey

CQULNEWSZBPFNL-UHFFFAOYSA-N

Compound name

6-hydroxy-7-methoxy-3-(4-methoxyphenyl)chromen-4-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 2
Patents: 298.08414 Da
Monoisotopic Mass: 2.8
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]+	299.09142	164.7
[M+Na]+	321.07336	181.5
[M+NH4]+	316.11796	172.6
[M+K]+	337.04730	174.5
[M-H]-	297.07686	170.4
[M+Na-2H]-	319.05881	172.6
[M]+	298.08359	168.9
[M]-	298.08469	168.9

Literature stripe

literature stripe

Patent stripe

patents stripe