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

4
Annotation Hits: 1010
References: 9901
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]+	227.070266	144.9
[M+Na]+	249.052208	156.2
[M-H]-	225.055714	147.9
[M+NH4]+	244.096813	163.9
[M+K]+	265.026148	150.8
[M+H-H2O]+	209.060250	139.3
[M+HCOO]-	271.061191	164.9
[M+CH3COO]-	285.076841	158.1
[M+Na-2H]-	247.037656	153.8
[M]+	226.06244142	146.0
[M]-	226.06353858	146.0

Literature stripe

literature stripe

Patent stripe

patents stripe