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
2
Annotation Hits

0
References

17
Patents

220.93143 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.93871 142.0
[M+Na]+ 243.92065 155.6
[M-H]- 219.92415 142.6
[M+NH4]+ 238.96525 158.5
[M+K]+ 259.89459 149.5
[M+H-H2O]+ 203.92869 132.2
[M+HCOO]- 265.92963 149.0
[M+CH3COO]- 279.94528 200.2
[M+Na-2H]- 241.90610 145.2
[M]+ 220.93088 138.6
[M]- 220.93198 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