CID 45480380

(3-fluorooxetan-3-yl)methanol

Structural Information

Molecular Formula
C4H7FO2
SMILES
C1C(CO1)(CO)F
InChI
InChI=1S/C4H7FO2/c5-4(1-6)2-7-3-4/h6H,1-3H2
InChIKey
BBAFPURKVADOED-UHFFFAOYSA-N
Compound name
(3-fluorooxetan-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

212
Patents

106.04301 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.05029 113.4
[M+Na]+ 129.03223 120.2
[M-H]- 105.03573 115.5
[M+NH4]+ 124.07683 129.9
[M+K]+ 145.00617 124.1
[M+H-H2O]+ 89.040270 104.7
[M+HCOO]- 151.04121 133.3
[M+CH3COO]- 165.05686 166.5
[M+Na-2H]- 127.01768 122.6
[M]+ 106.04246 120.5
[M]- 106.04356 120.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe