CID 130119557

Methyl 5-bromo-6-oxo-5,6-dihydropyridazine-3-carboxylate

Structural Information

Molecular Formula
C6H5BrN2O3
SMILES
COC(=O)C1=CC(C(=O)N=N1)Br
InChI
InChI=1S/C6H5BrN2O3/c1-12-6(11)4-2-3(7)5(10)9-8-4/h2-3H,1H3
InChIKey
MFMRWTKCQQYAMD-UHFFFAOYSA-N
Compound name
methyl 4-bromo-3-oxo-4H-pyridazine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.94835 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.95563 133.6
[M+Na]+ 254.93757 146.4
[M-H]- 230.94107 137.9
[M+NH4]+ 249.98217 152.9
[M+K]+ 270.91151 136.8
[M+H-H2O]+ 214.94561 133.0
[M+HCOO]- 276.94655 153.0
[M+CH3COO]- 290.96220 185.2
[M+Na-2H]- 252.92302 141.3
[M]+ 231.94780 153.6
[M]- 231.94890 153.6
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.