CID 13301568

2,7-dicyanonaphthalene

Structural Information

Molecular Formula

C₁₂H₆N₂

SMILES

C1=CC(=CC2=C1C=CC(=C2)C#N)C#N

InChI

InChI=1S/C12H6N2/c13-7-9-1-3-11-4-2-10(8-14)6-12(11)5-9/h1-6H

InChIKey

NNHXOKPHDUDDAK-UHFFFAOYSA-N

Compound name

naphthalene-2,7-dicarbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 122
Patents: 178.0531 Da
Monoisotopic Mass: 2.6
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]+	179.06038	154.8
[M+Na]+	201.04232	166.7
[M-H]-	177.04582	158.7
[M+NH4]+	196.08692	168.9
[M+K]+	217.01626	159.7
[M+H-H2O]+	161.05036	140.1
[M+HCOO]-	223.05130	167.4
[M+CH3COO]-	237.06695	163.1
[M+Na-2H]-	199.02777	158.7
[M]+	178.05255	146.8
[M]-	178.05365	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe