CID 145874460

2092811-50-0

Structural Information

Molecular Formula
C7H7BrN2O3
SMILES
CCOC(=O)C1=C(C(=O)NN=C1)Br
InChI
InChI=1S/C7H7BrN2O3/c1-2-13-7(12)4-3-9-10-6(11)5(4)8/h3H,2H2,1H3,(H,10,11)
InChIKey
URIBJPGJZWWPDE-UHFFFAOYSA-N
Compound name
ethyl 5-bromo-6-oxo-1H-pyridazine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.964 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.97128 137.7
[M+Na]+ 268.95322 150.5
[M-H]- 244.95672 140.8
[M+NH4]+ 263.99782 155.8
[M+K]+ 284.92716 139.6
[M+H-H2O]+ 228.96126 137.0
[M+HCOO]- 290.96220 156.6
[M+CH3COO]- 304.97785 185.4
[M+Na-2H]- 266.93867 145.2
[M]+ 245.96345 157.6
[M]- 245.96455 157.6
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.