CID 123074

Phenanthrene-9,10-diol

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

2
Annotation Hits: 7
References: 166
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]+	211.075356	141.2
[M+Na]+	233.057298	152.2
[M-H]-	209.060804	145.3
[M+NH4]+	228.101903	161.4
[M+K]+	249.031238	146.8
[M+H-H2O]+	193.065340	135.4
[M+HCOO]-	255.066281	162.7
[M+CH3COO]-	269.081931	154.9
[M+Na-2H]-	231.042746	151.3
[M]+	210.06753142	142.3
[M]-	210.06862858	142.3

Literature stripe

literature stripe

Patent stripe

patents stripe