CID 295901

2-amino-6-chloropyridine-3,5-dicarbonitrile

Structural Information

Molecular Formula
C7H3ClN4
SMILES
C1=C(C(=NC(=C1C#N)Cl)N)C#N
InChI
InChI=1S/C7H3ClN4/c8-6-4(2-9)1-5(3-10)7(11)12-6/h1H,(H2,11,12)
InChIKey
OKTHXARAGRKGBQ-UHFFFAOYSA-N
Compound name
2-amino-6-chloropyridine-3,5-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

29
Patents

178.00462 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.01190 147.7
[M+Na]+ 200.99384 158.9
[M-H]- 176.99734 149.9
[M+NH4]+ 196.03844 160.3
[M+K]+ 216.96778 155.1
[M+H-H2O]+ 161.00188 132.9
[M+HCOO]- 223.00282 157.6
[M+CH3COO]- 237.01847 214.5
[M+Na-2H]- 198.97929 150.1
[M]+ 178.00407 139.8
[M]- 178.00517 139.8
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