CID 58202083

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

Structural Information

Molecular Formula
C8H8FNO
SMILES
CC(=O)CC1=NC=C(C=C1)F
InChI
InChI=1S/C8H8FNO/c1-6(11)4-8-3-2-7(9)5-10-8/h2-3,5H,4H2,1H3
InChIKey
AMKZGJKFXGUZMZ-UHFFFAOYSA-N
Compound name
1-(5-fluoro-2-pyridinyl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

153.05899 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.066266 127.7
[M+Na]+ 176.048208 136.6
[M-H]- 152.051714 129.0
[M+NH4]+ 171.092813 147.7
[M+K]+ 192.022148 134.9
[M+H-H2O]+ 136.056250 120.7
[M+HCOO]- 198.057191 149.8
[M+CH3COO]- 212.072841 176.7
[M+Na-2H]- 174.033656 134.2
[M]+ 153.05844142 127.2
[M]- 153.05953858 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