CID 59225794

Ethyl 4-chloro-6-methoxy-5-nitropyridine-3-carboxylate

Structural Information

Molecular Formula
C9H9ClN2O5
SMILES
CCOC(=O)C1=CN=C(C(=C1Cl)[N+](=O)[O-])OC
InChI
InChI=1S/C9H9ClN2O5/c1-3-17-9(13)5-4-11-8(16-2)7(6(5)10)12(14)15/h4H,3H2,1-2H3
InChIKey
OEGBHWXKKYNQGK-UHFFFAOYSA-N
Compound name
ethyl 4-chloro-6-methoxy-5-nitropyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

260.02 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.02728 150.1
[M+Na]+ 283.00922 159.1
[M-H]- 259.01272 153.0
[M+NH4]+ 278.05382 165.9
[M+K]+ 298.98316 153.2
[M+H-H2O]+ 243.01726 148.9
[M+HCOO]- 305.01820 169.8
[M+CH3COO]- 319.03385 187.8
[M+Na-2H]- 280.99467 156.0
[M]+ 260.01945 155.2
[M]- 260.02055 155.2
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

patents stripe