CID 15310

2-fluoro-3-methylbutanoic acid

Structural Information

Molecular Formula
C5H9FO2
SMILES
CC(C)C(C(=O)O)F
InChI
InChI=1S/C5H9FO2/c1-3(2)4(6)5(7)8/h3-4H,1-2H3,(H,7,8)
InChIKey
DPPSUGSPUHMWEH-UHFFFAOYSA-N
Compound name
2-fluoro-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

99
Patents

120.058655 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.065931 122.3
[M+Na]+ 143.047873 129.2
[M-H]- 119.051379 120.2
[M+NH4]+ 138.092478 144.0
[M+K]+ 159.021813 129.6
[M+H-H2O]+ 103.055915 117.5
[M+HCOO]- 165.056856 141.6
[M+CH3COO]- 179.072506 169.8
[M+Na-2H]- 141.033321 125.1
[M]+ 120.05810642 120.3
[M]- 120.05920358 120.3
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