CID 42553168

Ethyl 2-(6-chloropyridin-3-yl)-2-oxoacetate

Structural Information

Molecular Formula
C9H8ClNO3
SMILES
CCOC(=O)C(=O)C1=CN=C(C=C1)Cl
InChI
InChI=1S/C9H8ClNO3/c1-2-14-9(13)8(12)6-3-4-7(10)11-5-6/h3-5H,2H2,1H3
InChIKey
HRFPVENOVYSKHE-UHFFFAOYSA-N
Compound name
ethyl 2-(6-chloropyridin-3-yl)-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.01927 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.02655 139.6
[M+Na]+ 236.00849 148.7
[M-H]- 212.01199 142.2
[M+NH4]+ 231.05309 157.8
[M+K]+ 251.98243 146.1
[M+H-H2O]+ 196.01653 133.9
[M+HCOO]- 258.01747 157.5
[M+CH3COO]- 272.03312 184.3
[M+Na-2H]- 233.99394 144.5
[M]+ 213.01872 144.0
[M]- 213.01982 144.0
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.