CID 61520047

3-cyclopropanecarbonyl-5-fluoropyridine

Structural Information

Molecular Formula
C9H8FNO
SMILES
C1CC1C(=O)C2=CC(=CN=C2)F
InChI
InChI=1S/C9H8FNO/c10-8-3-7(4-11-5-8)9(12)6-1-2-6/h3-6H,1-2H2
InChIKey
HKYVLAKNTKELJD-UHFFFAOYSA-N
Compound name
cyclopropyl-(5-fluoropyridin-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

165.05899 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.06627 137.5
[M+Na]+ 188.04821 150.9
[M+NH4]+ 183.09281 145.9
[M+K]+ 204.02215 146.2
[M-H]- 164.05171 145.5
[M+Na-2H]- 186.03366 147.0
[M]+ 165.05844 142.6
[M]- 165.05954 142.6
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

patents stripe