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

95
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 122.3
[M+Na]+ 143.04787 129.2
[M-H]- 119.05138 120.2
[M+NH4]+ 138.09248 144.0
[M+K]+ 159.02181 129.6
[M+H-H2O]+ 103.05592 117.5
[M+HCOO]- 165.05686 141.6
[M+CH3COO]- 179.07251 169.8
[M+Na-2H]- 141.03332 125.1
[M]+ 120.05811 120.3
[M]- 120.05920 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