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 152.1
[M+Na]+ 270.95898 163.6
[M-H]- 246.96248 156.4
[M+NH4]+ 266.00358 165.6
[M+K]+ 286.93292 154.3
[M+H-H2O]+ 230.96702 139.8
[M+HCOO]- 292.96796 169.2
[M+CH3COO]- 306.98361 224.9
[M+Na-2H]- 268.94443 156.2
[M]+ 247.96921 156.3
[M]- 247.97031 156.3
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

patents stripe