CID 123074

9,10-dihydroxyphenanthrene

Structural Information

Molecular Formula

C₁₄H₁₀O₂

SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3C(=C2O)O

InChI

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

InChIKey

ODUSUXJNDWKJKH-UHFFFAOYSA-N

Compound name

phenanthrene-9,10-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 141
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	142.0
[M+Na]+	233.05730	159.2
[M+NH4]+	228.10190	152.5
[M+K]+	249.03124	150.7
[M-H]-	209.06080	146.2
[M+Na-2H]-	231.04275	150.8
[M]+	210.06753	146.0
[M]-	210.06863	146.0

Literature stripe

literature stripe

Patent stripe

patents stripe