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

63
Patents

120.058655 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.06593 118.1
[M+Na]+ 143.04787 124.6
[M-H]- 119.05138 120.1
[M+NH4]+ 138.09248 134.1
[M+K]+ 159.02181 128.2
[M+H-H2O]+ 103.05592 109.2
[M+HCOO]- 165.05686 137.7
[M+CH3COO]- 179.07251 169.4
[M+Na-2H]- 141.03332 126.8
[M]+ 120.05811 125.6
[M]- 120.05920 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