CID 52941012

Chembl1288997

Structural Information

Molecular Formula

C₁₆H₁₂O₄

SMILES

COC1=C(C2=C(C=C1)C(=O)C(=CO2)C3=CC=CC=C3)O

InChI

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

InChIKey

CQQVMFDJEHVCOW-UHFFFAOYSA-N

Compound name

8-hydroxy-7-methoxy-3-phenylchromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
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]+	269.080826	156.7
[M+Na]+	291.062768	167.3
[M-H]-	267.066274	164.9
[M+NH4]+	286.107373	172.5
[M+K]+	307.036708	164.4
[M+H-H2O]+	251.070810	149.1
[M+HCOO]-	313.071751	178.7
[M+CH3COO]-	327.087401	170.2
[M+Na-2H]-	289.048216	164.4
[M]+	268.07300142	160.6
[M]-	268.07409858	160.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.