CID 86346465

4-chloropyridine-2,6-dicarbonitrile

Structural Information

Molecular Formula
C7H2ClN3
SMILES
C1=C(C=C(N=C1C#N)C#N)Cl
InChI
InChI=1S/C7H2ClN3/c8-5-1-6(3-9)11-7(2-5)4-10/h1-2H
InChIKey
OQBWVPUACGCUCO-UHFFFAOYSA-N
Compound name
4-chloropyridine-2,6-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

162.99373 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.00101 141.9
[M+Na]+ 185.98295 153.5
[M-H]- 161.98645 144.5
[M+NH4]+ 181.02755 155.3
[M+K]+ 201.95689 149.4
[M+H-H2O]+ 145.99099 127.2
[M+HCOO]- 207.99193 151.8
[M+CH3COO]- 222.00758 211.1
[M+Na-2H]- 183.96840 145.8
[M]+ 162.99318 135.1
[M]- 162.99428 135.1
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