CID 98181

2-fluoropentanoic acid

Structural Information

Molecular Formula
C5H9FO2
SMILES
CCCC(C(=O)O)F
InChI
InChI=1S/C5H9FO2/c1-2-3-4(6)5(7)8/h4H,2-3H2,1H3,(H,7,8)
InChIKey
AAYYJYDNERMSOZ-UHFFFAOYSA-N
Compound name
2-fluoropentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

178
Patents

120.058655 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.06593 122.4
[M+Na]+ 143.04787 129.5
[M-H]- 119.05138 120.2
[M+NH4]+ 138.09248 144.1
[M+K]+ 159.02181 129.4
[M+H-H2O]+ 103.05592 117.5
[M+HCOO]- 165.05686 142.6
[M+CH3COO]- 179.07251 168.9
[M+Na-2H]- 141.03332 126.4
[M]+ 120.05811 121.0
[M]- 120.05920 121.0
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