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]+ 211.026876 139.9
[M+Na]+ 233.008818 151.6
[M-H]- 209.012324 142.1
[M+NH4]+ 228.053423 156.6
[M+K]+ 248.982758 147.8
[M+H-H2O]+ 193.016860 127.7
[M+HCOO]- 255.017801 155.1
[M+CH3COO]- 269.033451 196.5
[M+Na-2H]- 230.994266 144.8
[M]+ 210.01905142 138.8
[M]- 210.02014858 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.