CID 130983570

1807298-28-7

Structural Information

Molecular Formula
C6H3FN2O
SMILES
C1=CC(=O)NC(=C1F)C#N
InChI
InChI=1S/C6H3FN2O/c7-4-1-2-6(10)9-5(4)3-8/h1-2H,(H,9,10)
InChIKey
MGBBUZXIZXKHPI-UHFFFAOYSA-N
Compound name
3-fluoro-6-oxo-1H-pyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

138.02293 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.03021 121.8
[M+Na]+ 161.01215 133.6
[M-H]- 137.01565 121.9
[M+NH4]+ 156.05675 139.7
[M+K]+ 176.98609 130.4
[M+H-H2O]+ 121.02019 108.8
[M+HCOO]- 183.02113 140.4
[M+CH3COO]- 197.03678 183.0
[M+Na-2H]- 158.99760 128.6
[M]+ 138.02238 114.6
[M]- 138.02348 114.6
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.