CID 71392835

[3-(fluoromethyl)oxetan-3-yl]methanol

Structural Information

Molecular Formula
C5H9FO2
SMILES
C1C(CO1)(CO)CF
InChI
InChI=1S/C5H9FO2/c6-1-5(2-7)3-8-4-5/h7H,1-4H2
InChIKey
XGHXIYCOHWTAFB-UHFFFAOYSA-N
Compound name
[3-(fluoromethyl)oxetan-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

120.058655 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.065931 118.1
[M+Na]+ 143.047873 124.6
[M-H]- 119.051379 120.1
[M+NH4]+ 138.092478 134.1
[M+K]+ 159.021813 128.2
[M+H-H2O]+ 103.055915 109.2
[M+HCOO]- 165.056856 137.7
[M+CH3COO]- 179.072506 169.4
[M+Na-2H]- 141.033321 126.8
[M]+ 120.05810642 125.6
[M]- 120.05920358 125.6
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