CID 3049427

Brn 1824099

Structural Information

Molecular Formula
C9H2Cl4N4
SMILES
C1=C(C(=C(C(=C1Cl)Cl)Cl)NN=C(C#N)C#N)Cl
InChI
InChI=1S/C9H2Cl4N4/c10-5-1-6(11)9(8(13)7(5)12)17-16-4(2-14)3-15/h1,17H
InChIKey
GETKIBMXXQWBAK-UHFFFAOYSA-N
Compound name
2-[(2,3,4,6-tetrachlorophenyl)hydrazinylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.90335 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.91063 171.1
[M+Na]+ 328.89257 182.7
[M-H]- 304.89607 173.4
[M+NH4]+ 323.93717 181.9
[M+K]+ 344.86651 176.6
[M+H-H2O]+ 288.90061 159.5
[M+HCOO]- 350.90155 172.9
[M+CH3COO]- 364.91720 231.1
[M+Na-2H]- 326.87802 170.2
[M]+ 305.90280 165.2
[M]- 305.90390 165.2
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.