CID 49758194

1198154-96-9

Structural Information

Molecular Formula
C8H5BrN4O
SMILES
C1=CC(=O)N(N=C1)C2=CN=C(C=N2)Br
InChI
InChI=1S/C8H5BrN4O/c9-6-4-11-7(5-10-6)13-8(14)2-1-3-12-13/h1-5H
InChIKey
VDJJTQFGHJAKDT-UHFFFAOYSA-N
Compound name
2-(5-bromopyrazin-2-yl)pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

251.96468 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.971956 138.8
[M+Na]+ 274.953898 152.9
[M-H]- 250.957404 143.6
[M+NH4]+ 269.998503 154.5
[M+K]+ 290.927838 141.2
[M+H-H2O]+ 234.961940 136.7
[M+HCOO]- 296.962881 158.0
[M+CH3COO]- 310.978531 153.6
[M+Na-2H]- 272.939346 150.0
[M]+ 251.96413142 158.0
[M]- 251.96522858 158.0
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

patents stripe