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]+ 221.08217 165.6
[M+Na]+ 243.06411 175.4
[M-H]- 219.06761 170.1
[M+NH4]+ 238.10871 178.3
[M+K]+ 259.03805 169.7
[M+H-H2O]+ 203.07215 149.3
[M+HCOO]- 265.07309 180.1
[M+CH3COO]- 279.08874 225.3
[M+Na-2H]- 241.04956 169.1
[M]+ 220.07434 157.7
[M]- 220.07544 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