CID 22353

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

Structural Information

Molecular Formula
C10H7BrN4
SMILES
CC1=C(C=CC(=C1)N=NC(C#N)C#N)Br
InChI
InChI=1S/C10H7BrN4/c1-7-4-8(2-3-10(7)11)14-15-9(5-12)6-13/h2-4,9H,1H3
InChIKey
RDQHZSXAFHLNJO-UHFFFAOYSA-N
Compound name
2-[(4-bromo-3-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 154.6
[M+Na]+ 284.97462 166.3
[M-H]- 260.97812 159.1
[M+NH4]+ 280.01922 168.0
[M+K]+ 300.94856 157.0
[M+H-H2O]+ 244.98266 142.3
[M+HCOO]- 306.98360 171.5
[M+CH3COO]- 320.99925 227.4
[M+Na-2H]- 282.96007 158.0
[M]+ 261.98485 159.3
[M]- 261.98595 159.3
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.