CID 55301772

2-fluoro-3-hydroxy-3-methylbutanoic acid

Structural Information

Molecular Formula
C5H9FO3
SMILES
CC(C)(C(C(=O)O)F)O
InChI
InChI=1S/C5H9FO3/c1-5(2,9)3(6)4(7)8/h3,9H,1-2H3,(H,7,8)
InChIKey
BPAVPWCRWRTHOJ-UHFFFAOYSA-N
Compound name
2-fluoro-3-hydroxy-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

136.05357 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.06085 125.0
[M+Na]+ 159.04279 132.1
[M-H]- 135.04629 121.7
[M+NH4]+ 154.08739 145.4
[M+K]+ 175.01673 132.0
[M+H-H2O]+ 119.05083 120.8
[M+HCOO]- 181.05177 142.5
[M+CH3COO]- 195.06742 168.6
[M+Na-2H]- 157.02824 129.3
[M]+ 136.05302 122.7
[M]- 136.05412 122.7
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