CID 66545220

Ethyl 5-bromo-4-chloro-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate

Structural Information

Molecular Formula
C9H9BrClNO3
SMILES
CCOC(=O)C1=CN(C(=O)C(=C1Cl)Br)C
InChI
InChI=1S/C9H9BrClNO3/c1-3-15-9(14)5-4-12(2)8(13)6(10)7(5)11/h4H,3H2,1-2H3
InChIKey
XHRYJYVRNPYLMA-UHFFFAOYSA-N
Compound name
ethyl 5-bromo-4-chloro-1-methyl-6-oxopyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.94543 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.952706 145.2
[M+Na]+ 315.934648 160.3
[M-H]- 291.938154 151.3
[M+NH4]+ 310.979253 165.0
[M+K]+ 331.908588 148.1
[M+H-H2O]+ 275.942690 145.8
[M+HCOO]- 337.943631 161.7
[M+CH3COO]- 351.959281 196.6
[M+Na-2H]- 313.920096 150.6
[M]+ 292.94488142 169.5
[M]- 292.94597858 169.5
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.