CID 84075883

1884550-23-5

Structural Information

Molecular Formula
C4H3BrN2O
SMILES
C1=C(C(=O)C=NN1)Br
InChI
InChI=1S/C4H3BrN2O/c5-3-1-6-7-2-4(3)8/h1-2H,(H,6,8)
InChIKey
IGKSRJQHMIJFGU-UHFFFAOYSA-N
Compound name
5-bromo-1H-pyridazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.94289 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.950166 120.6
[M+Na]+ 196.932108 134.0
[M-H]- 172.935614 123.7
[M+NH4]+ 191.976713 141.4
[M+K]+ 212.906048 123.0
[M+H-H2O]+ 156.940150 120.7
[M+HCOO]- 218.941091 140.8
[M+CH3COO]- 232.956741 172.6
[M+Na-2H]- 194.917556 131.5
[M]+ 173.94234142 137.8
[M]- 173.94343858 137.8
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.