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

0
Patents

251.96468 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.97196 138.8
[M+Na]+ 274.95390 152.9
[M-H]- 250.95740 143.6
[M+NH4]+ 269.99850 154.5
[M+K]+ 290.92784 141.2
[M+H-H2O]+ 234.96194 136.7
[M+HCOO]- 296.96288 158.0
[M+CH3COO]- 310.97853 153.6
[M+Na-2H]- 272.93935 150.0
[M]+ 251.96413 158.0
[M]- 251.96523 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

No patent data available for this compound.