CID 150937

1-hydroxyanthrone

Structural Information

Molecular Formula

C₁₄H₁₀O₂

SMILES

C1C2=C(C(=CC=C2)O)C(=O)C3=CC=CC=C31

InChI

InChI=1S/C14H10O2/c15-12-7-3-5-10-8-9-4-1-2-6-11(9)14(16)13(10)12/h1-7,15H,8H2

InChIKey

AXHRXVXCOMMNLG-UHFFFAOYSA-N

Compound name

1-hydroxy-10H-anthracen-9-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 255
Patents: 210.06808 Da
Monoisotopic Mass: 3.6
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]+	211.07536	141.6
[M+Na]+	233.05730	151.2
[M-H]-	209.06080	146.2
[M+NH4]+	228.10190	162.1
[M+K]+	249.03124	146.4
[M+H-H2O]+	193.06534	135.5
[M+HCOO]-	255.06628	161.8
[M+CH3COO]-	269.08193	154.9
[M+Na-2H]-	231.04275	150.1
[M]+	210.06753	140.8
[M]-	210.06863	140.8

Literature stripe

literature stripe

Patent stripe

patents stripe