CID 21082

4981-66-2

Structural Information

Molecular Formula

C₁₄H₁₀O₂

SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2O)O

InChI

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

InChIKey

PCFMUWBCZZUMRX-UHFFFAOYSA-N

Compound name

anthracene-9,10-diol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 3091
Patents: 210.06808 Da
Monoisotopic Mass: 3.7
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	141.2
[M+Na]+	233.05730	152.2
[M-H]-	209.06080	145.3
[M+NH4]+	228.10190	161.4
[M+K]+	249.03124	146.8
[M+H-H2O]+	193.06534	135.4
[M+HCOO]-	255.06628	162.7
[M+CH3COO]-	269.08193	154.9
[M+Na-2H]-	231.04275	151.3
[M]+	210.06753	142.3
[M]-	210.06863	142.3

Literature stripe

literature stripe

Patent stripe

patents stripe