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

278
Patents

120.058655 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.065931 122.1
[M+Na]+ 143.047873 129.4
[M-H]- 119.051379 119.8
[M+NH4]+ 138.092478 143.9
[M+K]+ 159.021813 128.9
[M+H-H2O]+ 103.055915 117.1
[M+HCOO]- 165.056856 143.4
[M+CH3COO]- 179.072506 168.0
[M+Na-2H]- 141.033321 127.4
[M]+ 120.05810642 121.5
[M]- 120.05920358 121.5
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