CID 154699845

Ns00117572

Structural Information

Molecular Formula

C₁₆H₁₂O₄

SMILES

COC1=CC2=C(C(=C1)O)OC=C(C2=O)C3=CC=CC=C3

InChI

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

InChIKey

OEPCEMYLDJNBNH-UHFFFAOYSA-N

Compound name

8-hydroxy-6-methoxy-3-phenylchromen-4-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 268.07355 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]+	269.08083	156.7
[M+Na]+	291.06277	167.3
[M-H]-	267.06627	164.9
[M+NH4]+	286.10737	172.5
[M+K]+	307.03671	164.4
[M+H-H2O]+	251.07081	149.1
[M+HCOO]-	313.07175	178.7
[M+CH3COO]-	327.08740	170.2
[M+Na-2H]-	289.04822	164.4
[M]+	268.07300	160.6
[M]-	268.07410	160.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.