CID 3049407

Brn 1820386

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.88028 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.88756 140.7
[M+Na]+ 348.86950 151.6
[M-H]- 324.87300 142.7
[M+NH4]+ 343.91410 152.1
[M+K]+ 364.84344 138.2
[M+H-H2O]+ 308.87754 135.2
[M+HCOO]- 370.87848 156.1
[M+CH3COO]- 384.89413 232.4
[M+Na-2H]- 346.85495 144.8
[M]+ 325.87973 155.2
[M]- 325.88083 155.2
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.