CID 10187

1,8,9-trihydroxyanthracene

Structural Information

Molecular Formula

C₁₄H₁₀O₃

SMILES

C1=CC2=CC3=C(C(=CC=C3)O)C(=C2C(=C1)O)O

InChI

InChI=1S/C14H10O3/c15-10-5-1-3-8-7-9-4-2-6-11(16)13(9)14(17)12(8)10/h1-7,15-17H

InChIKey

YUTJCNNFTOIOGT-UHFFFAOYSA-N

Compound name

anthracene-1,8,9-triol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1009
References: 8848
Patents: 226.06299 Da
Monoisotopic Mass: 3.9
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]+	227.07027	145.8
[M+Na]+	249.05221	162.2
[M+NH4]+	244.09681	155.2
[M+K]+	265.02615	154.8
[M-H]-	225.05571	149.0
[M+Na-2H]-	247.03766	153.2
[M]+	226.06244	149.2
[M]-	226.06354	149.2

Literature stripe

literature stripe

Patent stripe

patents stripe