CID 22356

((3,5-dibromophenyl)azo)malononitrile

Structural Information

Molecular Formula
C9H4Br2N4
SMILES
C1=C(C=C(C=C1Br)Br)N=NC(C#N)C#N
InChI
InChI=1S/C9H4Br2N4/c10-6-1-7(11)3-8(2-6)14-15-9(4-12)5-13/h1-3,9H
InChIKey
CUSWODFMLKPHKI-UHFFFAOYSA-N
Compound name
2-[(3,5-dibromophenyl)diazenyl]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.88028 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.88756 170.7
[M+Na]+ 348.86950 168.3
[M+NH4]+ 343.91410 169.5
[M+K]+ 364.84344 168.0
[M-H]- 324.87300 165.7
[M+Na-2H]- 346.85495 169.2
[M]+ 325.87973 167.6
[M]- 325.88083 167.6
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

No patent data available for this compound.