CID 46311506

1214388-04-1

Structural Information

Molecular Formula
C8H8ClNO3
SMILES
CCOC(=O)C1=C(C(=O)NC=C1)Cl
InChI
InChI=1S/C8H8ClNO3/c1-2-13-8(12)5-3-4-10-7(11)6(5)9/h3-4H,2H2,1H3,(H,10,11)
InChIKey
JSWVYTKRQAHONO-UHFFFAOYSA-N
Compound name
ethyl 3-chloro-2-oxo-1H-pyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.01927 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.026546 135.8
[M+Na]+ 224.008488 146.1
[M-H]- 200.011994 137.4
[M+NH4]+ 219.053093 154.2
[M+K]+ 239.982428 142.4
[M+H-H2O]+ 184.016530 130.7
[M+HCOO]- 246.017471 153.4
[M+CH3COO]- 260.033121 179.1
[M+Na-2H]- 221.993936 141.1
[M]+ 201.01872142 138.9
[M]- 201.01981858 138.9
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.