CID 439929

Phenanthrene-3,4-diol

Structural Information

Molecular Formula

C₁₄H₁₀O₂

SMILES

C1=CC=C2C(=C1)C=CC3=C2C(=C(C=C3)O)O

InChI

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

InChIKey

RLZZZVKAURTHCP-UHFFFAOYSA-N

Compound name

phenanthrene-3,4-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 408
References: 8982
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