CID 105427192

2-fluoro-2-(oxetan-3-yl)ethan-1-ol

Structural Information

Molecular Formula
C5H9FO2
SMILES
C1C(CO1)C(CO)F
InChI
InChI=1S/C5H9FO2/c6-5(1-7)4-2-8-3-4/h4-5,7H,1-3H2
InChIKey
VJKSEPCYNXUWSX-UHFFFAOYSA-N
Compound name
2-fluoro-2-(oxetan-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

120.058655 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.065931 119.0
[M+Na]+ 143.047873 124.2
[M-H]- 119.051379 120.5
[M+NH4]+ 138.092478 132.8
[M+K]+ 159.021813 128.2
[M+H-H2O]+ 103.055915 108.6
[M+HCOO]- 165.056856 137.5
[M+CH3COO]- 179.072506 170.6
[M+Na-2H]- 141.033321 125.2
[M]+ 120.05810642 125.4
[M]- 120.05920358 125.4
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

No patent data available for this compound.