CID 84106169

Ethyl 6-chloro-5-cyanopicolinate

Structural Information

Molecular Formula
C9H7ClN2O2
SMILES
CCOC(=O)C1=NC(=C(C=C1)C#N)Cl
InChI
InChI=1S/C9H7ClN2O2/c1-2-14-9(13)7-4-3-6(5-11)8(10)12-7/h3-4H,2H2,1H3
InChIKey
KNDJEEFHGLNAHI-UHFFFAOYSA-N
Compound name
ethyl 6-chloro-5-cyanopyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.0196 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.02688 139.8
[M+Na]+ 233.00882 152.8
[M+NH4]+ 228.05342 144.1
[M+K]+ 248.98276 143.8
[M-H]- 209.01232 133.6
[M+Na-2H]- 230.99427 143.7
[M]+ 210.01905 139.3
[M]- 210.02015 139.3
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

No patent data available for this compound.