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

0
Patents

218.0844 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.09168 166.5
[M+Na]+ 241.07362 177.0
[M-H]- 217.07712 169.8
[M+NH4]+ 236.11822 179.2
[M+K]+ 257.04756 169.1
[M+H-H2O]+ 201.08166 151.2
[M+HCOO]- 263.08260 177.8
[M+CH3COO]- 277.09825 219.5
[M+Na-2H]- 239.05907 168.6
[M]+ 218.08385 157.9
[M]- 218.08495 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

No patent data available for this compound.