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 132.3
[M+Na]+ 188.04821 142.5
[M-H]- 164.05171 137.5
[M+NH4]+ 183.09281 146.8
[M+K]+ 204.02215 139.4
[M+H-H2O]+ 148.05625 124.2
[M+HCOO]- 210.05719 154.6
[M+CH3COO]- 224.07284 181.7
[M+Na-2H]- 186.03366 138.5
[M]+ 165.05844 133.1
[M]- 165.05954 133.1
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