CID 6763

9,10-phenanthrenequinone

Structural Information

Molecular Formula

C₁₄H₈O₂

SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3C(=O)C2=O

InChI

InChI=1S/C14H8O2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8H

InChIKey

YYVYAPXYZVYDHN-UHFFFAOYSA-N

Compound name

phenanthrene-9,10-dione

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 216
References: 30303
Patents: 208.05243 Da
Monoisotopic Mass: 2.5
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]+	209.059706	139.9
[M+Na]+	231.041648	150.2
[M-H]-	207.045154	146.0
[M+NH4]+	226.086253	161.1
[M+K]+	247.015588	145.7
[M+H-H2O]+	191.049690	133.5
[M+HCOO]-	253.050631	161.9
[M+CH3COO]-	267.066281	154.0
[M+Na-2H]-	229.027096	148.9
[M]+	208.05188142	140.2
[M]-	208.05297858	140.2

Literature stripe

literature stripe

Patent stripe

patents stripe