CID 71683315

1-(5-fluoropyridin-2-yl)propan-1-one

Structural Information

Molecular Formula
C8H8FNO
SMILES
CCC(=O)C1=NC=C(C=C1)F
InChI
InChI=1S/C8H8FNO/c1-2-8(11)7-4-3-6(9)5-10-7/h3-5H,2H2,1H3
InChIKey
ISOUOXUJXKRQBQ-UHFFFAOYSA-N
Compound name
1-(5-fluoropyridin-2-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

153.05899 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.06627 127.7
[M+Na]+ 176.04821 136.6
[M-H]- 152.05171 129.0
[M+NH4]+ 171.09281 147.7
[M+K]+ 192.02215 134.9
[M+H-H2O]+ 136.05625 120.7
[M+HCOO]- 198.05719 149.8
[M+CH3COO]- 212.07284 176.7
[M+Na-2H]- 174.03366 134.2
[M]+ 153.05844 127.2
[M]- 153.05954 127.2
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