CID 74708

2-hydroxyxanthone

Structural Information

Molecular Formula

C₁₃H₈O₃

SMILES

C1=CC=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)O

InChI

InChI=1S/C13H8O3/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h1-7,14H

InChIKey

WSACHQJPCNOREV-UHFFFAOYSA-N

Compound name

2-hydroxyxanthen-9-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 179
Patents: 212.04735 Da
Monoisotopic Mass: 3.2
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]+	213.054626	138.8
[M+Na]+	235.036568	151.0
[M-H]-	211.040074	145.1
[M+NH4]+	230.081173	158.3
[M+K]+	251.010508	147.9
[M+H-H2O]+	195.044610	132.6
[M+HCOO]-	257.045551	161.6
[M+CH3COO]-	271.061201	153.7
[M+Na-2H]-	233.022016	150.6
[M]+	212.04680142	142.7
[M]-	212.04789858	142.7

Literature stripe

literature stripe

Patent stripe

patents stripe