CID 120235

5-fluoropentanoic acid

Structural Information

Molecular Formula
C5H9FO2
SMILES
C(CCF)CC(=O)O
InChI
InChI=1S/C5H9FO2/c6-4-2-1-3-5(7)8/h1-4H2,(H,7,8)
InChIKey
YMQFZAGVJOGELX-UHFFFAOYSA-N
Compound name
5-fluoropentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

211
Patents

120.058655 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.06593 123.6
[M+Na]+ 143.04787 132.6
[M+NH4]+ 138.09248 130.4
[M+K]+ 159.02181 128.0
[M-H]- 119.05138 120.7
[M+Na-2H]- 141.03332 126.2
[M]+ 120.05811 123.7
[M]- 120.05920 123.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe