CID 72861

9-hydroxyxanthene

Structural Information

Molecular Formula

C₁₃H₁₀O₂

SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)O

InChI

InChI=1S/C13H10O2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8,13-14H

InChIKey

JFRMYMMIJXLMBB-UHFFFAOYSA-N

Compound name

9H-xanthen-9-ol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 46
References: 1281
Patents: 198.06808 Da
Monoisotopic Mass: 1.9
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]+	199.075356	137.9
[M+Na]+	221.057298	147.0
[M-H]-	197.060804	143.0
[M+NH4]+	216.101903	157.5
[M+K]+	237.031238	144.0
[M+H-H2O]+	181.065340	131.8
[M+HCOO]-	243.066281	157.5
[M+CH3COO]-	257.081931	151.5
[M+Na-2H]-	219.042746	148.4
[M]+	198.06753142	137.8
[M]-	198.06862858	137.8

Literature stripe

literature stripe

Patent stripe

patents stripe