CID 19465

Malononitrile, (2-(2-naphthyl)ethylidene)-

Structural Information

Molecular Formula
C15H10N2
SMILES
C1=CC=C2C=C(C=CC2=C1)CC=C(C#N)C#N
InChI
InChI=1S/C15H10N2/c16-10-13(11-17)6-5-12-7-8-14-3-1-2-4-15(14)9-12/h1-4,6-9H,5H2
InChIKey
DPLRUGICVHBQDO-UHFFFAOYSA-N
Compound name
2-(2-naphthalen-2-ylethylidene)propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

218.0844 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.091676 166.5
[M+Na]+ 241.073618 177.0
[M-H]- 217.077124 169.8
[M+NH4]+ 236.118223 179.2
[M+K]+ 257.047558 169.1
[M+H-H2O]+ 201.081660 151.2
[M+HCOO]- 263.082601 177.8
[M+CH3COO]- 277.098251 219.5
[M+Na-2H]- 239.059066 168.6
[M]+ 218.08385142 157.9
[M]- 218.08494858 157.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe