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

3
Patents

114.02294 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.03022 115.2
[M+Na]+ 137.01216 125.7
[M-H]- 113.01566 114.1
[M+NH4]+ 132.05676 134.7
[M+K]+ 152.98610 123.3
[M+H-H2O]+ 97.020200 108.2
[M+HCOO]- 159.02114 136.6
[M+CH3COO]- 173.03679 163.9
[M+Na-2H]- 134.99761 124.4
[M]+ 114.02239 112.4
[M]- 114.02349 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