CID 132907

9-hydroxy-alpha-naphthoflavone

Structural Information

Molecular Formula

C₁₉H₁₂O₃

SMILES

C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C4=C(C=CC(=C4)O)C=C3

InChI

InChI=1S/C19H12O3/c20-14-8-6-12-7-9-15-17(21)11-18(13-4-2-1-3-5-13)22-19(15)16(12)10-14/h1-11,20H

InChIKey

PODSTHAFQFMETD-UHFFFAOYSA-N

Compound name

9-hydroxy-2-phenylbenzo[h]chromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 288.07864 Da
Monoisotopic Mass: 4.1
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]+	289.085916	162.8
[M+Na]+	311.067858	174.4
[M-H]-	287.071364	172.0
[M+NH4]+	306.112463	178.6
[M+K]+	327.041798	169.6
[M+H-H2O]+	271.075900	154.4
[M+HCOO]-	333.076841	184.5
[M+CH3COO]-	347.092491	176.0
[M+Na-2H]-	309.053306	172.5
[M]+	288.07809142	166.2
[M]-	288.07918858	166.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.