CID 592750

3-amino-6-chloropyridine-2-carbonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

209
Patents

153.00937 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.01665 129.1
[M+Na]+ 175.99859 141.1
[M-H]- 152.00209 130.9
[M+NH4]+ 171.04319 147.4
[M+K]+ 191.97253 137.0
[M+H-H2O]+ 136.00663 117.3
[M+HCOO]- 198.00757 145.7
[M+CH3COO]- 212.02322 189.1
[M+Na-2H]- 173.98404 135.6
[M]+ 153.00882 124.1
[M]- 153.00992 124.1
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

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