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]+ 293.95271 145.2
[M+Na]+ 315.93465 160.3
[M-H]- 291.93815 151.3
[M+NH4]+ 310.97925 165.0
[M+K]+ 331.90859 148.1
[M+H-H2O]+ 275.94269 145.8
[M+HCOO]- 337.94363 161.7
[M+CH3COO]- 351.95928 196.6
[M+Na-2H]- 313.92010 150.6
[M]+ 292.94488 169.5
[M]- 292.94598 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.