CID 84225

4-amino-3,5,6-trichloropicolinonitrile

Structural Information

Molecular Formula
C6H2Cl3N3
SMILES
C(#N)C1=C(C(=C(C(=N1)Cl)Cl)N)Cl
InChI
InChI=1S/C6H2Cl3N3/c7-3-2(1-10)12-6(9)4(8)5(3)11/h(H2,11,12)
InChIKey
AZYYQVGBVUCIEO-UHFFFAOYSA-N
Compound name
4-amino-3,5,6-trichloropyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

22
Patents

220.93143 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.938706 142.0
[M+Na]+ 243.920648 155.6
[M-H]- 219.924154 142.6
[M+NH4]+ 238.965253 158.5
[M+K]+ 259.894588 149.5
[M+H-H2O]+ 203.928690 132.2
[M+HCOO]- 265.929631 149.0
[M+CH3COO]- 279.945281 200.2
[M+Na-2H]- 241.906096 145.2
[M]+ 220.93088142 138.6
[M]- 220.93197858 138.6
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