CID 22366

(1-naphthylazo)malononitrile

Structural Information

Molecular Formula
C13H8N4
SMILES
C1=CC=C2C(=C1)C=CC=C2N=NC(C#N)C#N
InChI
InChI=1S/C13H8N4/c14-8-11(9-15)16-17-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11H
InChIKey
MHSXCCOAOKZNLS-UHFFFAOYSA-N
Compound name
2-(naphthalen-1-yldiazenyl)propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

220.07489 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.082166 165.6
[M+Na]+ 243.064108 175.4
[M-H]- 219.067614 170.1
[M+NH4]+ 238.108713 178.3
[M+K]+ 259.038048 169.7
[M+H-H2O]+ 203.072150 149.3
[M+HCOO]- 265.073091 180.1
[M+CH3COO]- 279.088741 225.3
[M+Na-2H]- 241.049556 169.1
[M]+ 220.07434142 157.7
[M]- 220.07543858 157.7
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