CID 53414500

(3-fluorocyclobutyl)methanol

Structural Information

Molecular Formula
C5H9FO
SMILES
C1C(CC1F)CO
InChI
InChI=1S/C5H9FO/c6-5-1-4(2-5)3-7/h4-5,7H,1-3H2
InChIKey
FVQRBAHVLBOJNL-UHFFFAOYSA-N
Compound name
(3-fluorocyclobutyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

104.06374 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.07102 115.7
[M+Na]+ 127.05296 122.3
[M-H]- 103.05646 117.0
[M+NH4]+ 122.09756 131.9
[M+K]+ 143.02690 124.4
[M+H-H2O]+ 87.061000 106.0
[M+HCOO]- 149.06194 135.9
[M+CH3COO]- 163.07759 169.1
[M+Na-2H]- 125.03841 121.5
[M]+ 104.06319 121.2
[M]- 104.06429 121.2
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