CID 11796

2-hydroxyanthraquinone

Structural Information

Molecular Formula

C₁₄H₈O₃

SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)O

InChI

InChI=1S/C14H8O3/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7,15H

InChIKey

GCDBEYOJCZLKMC-UHFFFAOYSA-N

Compound name

2-hydroxyanthracene-9,10-dione

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 4
References: 887
Patents: 224.04735 Da
Monoisotopic Mass: 3.0
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]+	225.054626	143.4
[M+Na]+	247.036568	154.1
[M-H]-	223.040074	148.4
[M+NH4]+	242.081173	163.5
[M+K]+	263.010508	149.4
[M+H-H2O]+	207.044610	137.4
[M+HCOO]-	269.045551	164.0
[M+CH3COO]-	283.061201	157.0
[M+Na-2H]-	245.022016	151.3
[M]+	224.04680142	143.8
[M]-	224.04789858	143.8

Literature stripe

literature stripe

Patent stripe

patents stripe