CID 100447

Brn 1822044

Structural Information

Molecular Formula
C9H3Br2ClN4
SMILES
C1=C(C=C(C(=C1Br)NN=C(C#N)C#N)Br)Cl
InChI
InChI=1S/C9H3Br2ClN4/c10-7-1-5(12)2-8(11)9(7)16-15-6(3-13)4-14/h1-2,16H
InChIKey
TVPNGHYEIKQAQK-UHFFFAOYSA-N
Compound name
2-[(2,6-dibromo-4-chlorophenyl)hydrazinylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.8413 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.84858 145.4
[M+Na]+ 382.83052 157.6
[M-H]- 358.83402 147.7
[M+NH4]+ 377.87512 156.8
[M+K]+ 398.80446 143.0
[M+H-H2O]+ 342.83856 140.5
[M+HCOO]- 404.83950 158.6
[M+CH3COO]- 418.85515 234.7
[M+Na-2H]- 380.81597 148.9
[M]+ 359.84075 161.1
[M]- 359.84185 161.1
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.