CID 56633764

1206524-67-5

Structural Information

Molecular Formula
C4H3FN2O
SMILES
C1=CC(=NNC1=O)F
InChI
InChI=1S/C4H3FN2O/c5-3-1-2-4(8)7-6-3/h1-2H,(H,7,8)
InChIKey
HBXHZKJSJOZGDW-UHFFFAOYSA-N
Compound name
3-fluoro-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

114.02294 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.030216 115.2
[M+Na]+ 137.012158 125.7
[M-H]- 113.015664 114.1
[M+NH4]+ 132.056763 134.7
[M+K]+ 152.986098 123.3
[M+H-H2O]+ 97.020200 108.2
[M+HCOO]- 159.021141 136.6
[M+CH3COO]- 173.036791 163.9
[M+Na-2H]- 134.997606 124.4
[M]+ 114.02239142 112.4
[M]- 114.02348858 112.4
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