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

132
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

literature stripe

Patent stripe

patents stripe