CID 23237089

(3-fluorobicyclo[1.1.1]pentan-1-yl)methanol

Structural Information

Molecular Formula
C6H9FO
SMILES
C1C2(CC1(C2)F)CO
InChI
InChI=1S/C6H9FO/c7-6-1-5(2-6,3-6)4-8/h8H,1-4H2
InChIKey
XDKHOYUFVZFMBS-UHFFFAOYSA-N
Compound name
(3-fluoro-1-bicyclo[1.1.1]pentanyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
Patents

116.06374 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.07102 139.9
[M+Na]+ 139.05296 145.2
[M-H]- 115.05646 142.0
[M+NH4]+ 134.09756 147.9
[M+K]+ 155.02690 150.1
[M+H-H2O]+ 99.061000 128.0
[M+HCOO]- 161.06194 152.4
[M+CH3COO]- 175.07759 198.9
[M+Na-2H]- 137.03841 147.7
[M]+ 116.06319 163.2
[M]- 116.06429 163.2
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