CID 23013

(4-bromo-1-naphthylazo)malononitrile

Structural Information

Molecular Formula
C13H7BrN4
SMILES
C1=CC=C2C(=C1)C(=CC=C2Br)N=NC(C#N)C#N
InChI
InChI=1S/C13H7BrN4/c14-12-5-6-13(18-17-9(7-15)8-16)11-4-2-1-3-10(11)12/h1-6,9H
InChIKey
MEVIYQPHPRGOGJ-UHFFFAOYSA-N
Compound name
2-[(4-bromonaphthalen-1-yl)diazenyl]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.9854 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.99268 166.3
[M+Na]+ 320.97462 178.6
[M-H]- 296.97812 170.6
[M+NH4]+ 316.01922 179.2
[M+K]+ 336.94856 166.7
[M+H-H2O]+ 280.98266 154.0
[M+HCOO]- 342.98360 182.3
[M+CH3COO]- 356.99925 231.1
[M+Na-2H]- 318.96007 170.0
[M]+ 297.98485 170.7
[M]- 297.98595 170.7
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

No patent data available for this compound.