CID 130115090

1806984-30-4

Structural Information

Molecular Formula
C7H6BrNO3
SMILES
COC(=O)C1=CC(=CC(=O)N1)Br
InChI
InChI=1S/C7H6BrNO3/c1-12-7(11)5-2-4(8)3-6(10)9-5/h2-3H,1H3,(H,9,10)
InChIKey
DYSABYBQWJRFRG-UHFFFAOYSA-N
Compound name
methyl 4-bromo-6-oxo-1H-pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.95311 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.96039 137.3
[M+Na]+ 253.94233 140.5
[M+NH4]+ 248.98693 140.7
[M+K]+ 269.91627 141.9
[M-H]- 229.94583 135.9
[M+Na-2H]- 251.92778 139.9
[M]+ 230.95256 136.0
[M]- 230.95366 136.0
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.