CID 87323

17824-83-8

Structural Information

Molecular Formula
C6Cl4N2
SMILES
C(#N)C1=C(C(=C(C(=N1)Cl)Cl)Cl)Cl
InChI
InChI=1S/C6Cl4N2/c7-3-2(1-11)12-6(10)5(9)4(3)8
InChIKey
KFPBGJYBKSQIAI-UHFFFAOYSA-N
Compound name
3,4,5,6-tetrachloropyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

190
Patents

239.88156 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.88884 141.8
[M+Na]+ 262.87078 155.8
[M-H]- 238.87428 141.4
[M+NH4]+ 257.91538 157.7
[M+K]+ 278.84472 149.4
[M+H-H2O]+ 222.87882 132.8
[M+HCOO]- 284.87976 143.5
[M+CH3COO]- 298.89541 202.0
[M+Na-2H]- 260.85623 144.7
[M]+ 239.88101 139.1
[M]- 239.88211 139.1
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.