CID 3049412

Brn 1822041

Structural Information

Molecular Formula
C9H3BrCl2N4
SMILES
C1=C(C=C(C(=C1Cl)NN=C(C#N)C#N)Cl)Br
InChI
InChI=1S/C9H3BrCl2N4/c10-5-1-7(11)9(8(12)2-5)16-15-6(3-13)4-14/h1-2,16H
InChIKey
WANUANPRSIEIQH-UHFFFAOYSA-N
Compound name
2-[(4-bromo-2,6-dichlorophenyl)hydrazinylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.8918 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.89908 161.9
[M+Na]+ 338.88102 175.6
[M-H]- 314.88452 165.6
[M+NH4]+ 333.92562 174.7
[M+K]+ 354.85496 163.5
[M+H-H2O]+ 298.88906 151.6
[M+HCOO]- 360.89000 172.4
[M+CH3COO]- 374.90565 229.4
[M+Na-2H]- 336.86647 164.1
[M]+ 315.89125 167.4
[M]- 315.89235 167.4
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.