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 139.0
[M+Na]+ 348.86950 150.2
[M-H]- 324.87300 141.7
[M+NH4]+ 343.91410 150.7
[M+K]+ 364.84344 137.2
[M+H-H2O]+ 308.87754 133.4
[M+HCOO]- 370.87848 155.2
[M+CH3COO]- 384.89413 233.7
[M+Na-2H]- 346.85495 143.5
[M]+ 325.87973 154.5
[M]- 325.88083 154.5
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.