CID 84106169

Ethyl 6-chloro-5-cyanopyridine-2-carboxylate

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 139.9
[M+Na]+ 233.00882 151.6
[M-H]- 209.01232 142.1
[M+NH4]+ 228.05342 156.6
[M+K]+ 248.98276 147.8
[M+H-H2O]+ 193.01686 127.7
[M+HCOO]- 255.01780 155.1
[M+CH3COO]- 269.03345 196.5
[M+Na-2H]- 230.99427 144.8
[M]+ 210.01905 138.8
[M]- 210.02015 138.8
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.