CID 199165

Propanedinitrile, ((2,4,6-trichlorophenyl)hydrazono)-

Structural Information

Molecular Formula
C9H3Cl3N4
SMILES
C1=C(C=C(C(=C1Cl)NN=C(C#N)C#N)Cl)Cl
InChI
InChI=1S/C9H3Cl3N4/c10-5-1-7(11)9(8(12)2-5)16-15-6(3-13)4-14/h1-2,16H
InChIKey
FACSZFSWIFLGOW-UHFFFAOYSA-N
Compound name
2-[(2,4,6-trichlorophenyl)hydrazinylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

271.94232 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.94960 166.9
[M+Na]+ 294.93154 178.4
[M-H]- 270.93504 170.1
[M+NH4]+ 289.97614 178.7
[M+K]+ 310.90548 172.4
[M+H-H2O]+ 254.93958 154.2
[M+HCOO]- 316.94052 172.2
[M+CH3COO]- 330.95617 227.3
[M+Na-2H]- 292.91699 167.3
[M]+ 271.94177 161.0
[M]- 271.94287 161.0
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

patents stripe