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-chloro-3-pyridinyl)-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]+ 214.026546 139.6
[M+Na]+ 236.008488 148.7
[M-H]- 212.011994 142.2
[M+NH4]+ 231.053093 157.8
[M+K]+ 251.982428 146.1
[M+H-H2O]+ 196.016530 133.9
[M+HCOO]- 258.017471 157.5
[M+CH3COO]- 272.033121 184.3
[M+Na-2H]- 233.993936 144.5
[M]+ 213.01872142 144.0
[M]- 213.01981858 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.