CID 20311683

2-amino-6-chloroisonicotinonitrile

Structural Information

Molecular Formula
C6H4ClN3
SMILES
C1=C(C=C(N=C1N)Cl)C#N
InChI
InChI=1S/C6H4ClN3/c7-5-1-4(3-8)2-6(9)10-5/h1-2H,(H2,9,10)
InChIKey
VHIXEMVONDUEDP-UHFFFAOYSA-N
Compound name
2-amino-6-chloropyridine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

153.00937 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.01665 128.4
[M+Na]+ 175.99859 141.5
[M+NH4]+ 171.04319 133.8
[M+K]+ 191.97253 132.1
[M-H]- 152.00209 123.6
[M+Na-2H]- 173.98404 133.4
[M]+ 153.00882 128.3
[M]- 153.00992 128.3
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