CID 17279

9-cyanophenanthrene

Structural Information

Molecular Formula

C₁₅H₉N

SMILES

C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)C#N

InChI

InChI=1S/C15H9N/c16-10-12-9-11-5-1-2-6-13(11)15-8-4-3-7-14(12)15/h1-9H

InChIKey

CWFIYYOQYVYBPW-UHFFFAOYSA-N

Compound name

phenanthrene-9-carbonitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 217
Patents: 203.0735 Da
Monoisotopic Mass: 4.1
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]+	204.08078	149.3
[M+Na]+	226.06272	162.7
[M-H]-	202.06622	154.1
[M+NH4]+	221.10732	168.5
[M+K]+	242.03666	153.8
[M+H-H2O]+	186.07076	136.6
[M+HCOO]-	248.07170	169.2
[M+CH3COO]-	262.08735	161.6
[M+Na-2H]-	224.04817	158.6
[M]+	203.07295	145.5
[M]-	203.07405	145.5

Literature stripe

literature stripe

Patent stripe

patents stripe