CID 14586

9-anthracenecarbonitrile

Structural Information

Molecular Formula

C₁₅H₉N

SMILES

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C#N

InChI

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

InChIKey

KEQZHLAEKAVZLY-UHFFFAOYSA-N

Compound name

anthracene-9-carbonitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 19
References: 1733
Patents: 203.0735 Da
Monoisotopic Mass: 4.3
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	148.9
[M+Na]+	226.06272	165.8
[M+NH4]+	221.10732	156.5
[M+K]+	242.03666	152.7
[M-H]-	202.06622	146.8
[M+Na-2H]-	224.04817	155.9
[M]+	203.07295	150.3
[M]-	203.07405	150.3

Literature stripe

literature stripe

Patent stripe

patents stripe