CID 5395778

137987-96-3

Structural Information

Molecular Formula

C₁₆H₁₂O₄

SMILES

CC1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)O

InChI

InChI=1S/C16H12O4/c1-10-2-5-12(6-3-10)20-15-9-19-14-8-11(17)4-7-13(14)16(15)18/h2-9,17H,1H3

InChIKey

LAQIGYBWXRPPEA-UHFFFAOYSA-N

Compound name

7-hydroxy-3-(4-methylphenoxy)chromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 3
Patents: 268.07355 Da
Monoisotopic Mass: 3.3
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]+	269.08083	156.9
[M+Na]+	291.06277	174.1
[M+NH4]+	286.10737	165.6
[M+K]+	307.03671	166.6
[M-H]-	267.06627	163.1
[M+Na-2H]-	289.04822	165.8
[M]+	268.07300	161.4
[M]-	268.07410	161.4

Literature stripe

literature stripe

Patent stripe

patents stripe