CID 95724

Phenanthren-3-ol

Structural Information

Molecular Formula

C₁₄H₁₀O

SMILES

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

InChI

InChI=1S/C14H10O/c15-12-8-7-11-6-5-10-3-1-2-4-13(10)14(11)9-12/h1-9,15H

InChIKey

NGPOABOEXMDQBT-UHFFFAOYSA-N

Compound name

phenanthren-3-ol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 20
References: 1389
Patents: 194.07317 Da
Monoisotopic Mass: 4.0
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]+	195.080446	137.5
[M+Na]+	217.062388	148.1
[M-H]-	193.065894	142.5
[M+NH4]+	212.106993	158.7
[M+K]+	233.036328	142.9
[M+H-H2O]+	177.070430	131.4
[M+HCOO]-	239.071371	160.3
[M+CH3COO]-	253.087021	151.7
[M+Na-2H]-	215.047836	148.7
[M]+	194.07262142	138.5
[M]-	194.07371858	138.5

Literature stripe

literature stripe

Patent stripe

patents stripe