CID 21650

((p-bromophenyl)azo)malononitrile

Structural Information

Molecular Formula
C9H5BrN4
SMILES
C1=CC(=CC=C1N=NC(C#N)C#N)Br
InChI
InChI=1S/C9H5BrN4/c10-7-1-3-8(4-2-7)13-14-9(5-11)6-12/h1-4,9H
InChIKey
CIFOXOQVWXRACF-UHFFFAOYSA-N
Compound name
2-[(4-bromophenyl)diazenyl]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

247.96976 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.97704 172.3
[M+Na]+ 270.95898 174.9
[M+NH4]+ 266.00358 171.6
[M+K]+ 286.93292 168.6
[M-H]- 246.96248 164.1
[M+Na-2H]- 268.94443 170.9
[M]+ 247.96921 168.6
[M]- 247.97031 168.6
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