CID 22351

((4-bromo-o-tolyl)azo)malononitrile

Structural Information

Molecular Formula
C10H7BrN4
SMILES
CC1=C(C=CC(=C1)Br)N=NC(C#N)C#N
InChI
InChI=1S/C10H7BrN4/c1-7-4-8(11)2-3-10(7)15-14-9(5-12)6-13/h2-4,9H,1H3
InChIKey
DFZDHXOMGDVBDQ-UHFFFAOYSA-N
Compound name
2-[(4-bromo-2-methylphenyl)diazenyl]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.9854 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.99268 173.6
[M+Na]+ 284.97462 176.3
[M+NH4]+ 280.01922 172.8
[M+K]+ 300.94856 170.0
[M-H]- 260.97812 165.4
[M+Na-2H]- 282.96007 172.0
[M]+ 261.98485 169.9
[M]- 261.98595 169.9
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.