CID 105426962

3-(fluoromethyl)cyclobutan-1-ol

Structural Information

Molecular Formula
C5H9FO
SMILES
C1C(CC1O)CF
InChI
InChI=1S/C5H9FO/c6-3-4-1-5(7)2-4/h4-5,7H,1-3H2
InChIKey
SOVULJRLJUMRNC-UHFFFAOYSA-N
Compound name
3-(fluoromethyl)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

104.06374 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.071016 115.7
[M+Na]+ 127.052958 122.3
[M-H]- 103.056464 117.0
[M+NH4]+ 122.097563 131.9
[M+K]+ 143.026898 124.4
[M+H-H2O]+ 87.061000 106.0
[M+HCOO]- 149.061941 135.9
[M+CH3COO]- 163.077591 169.1
[M+Na-2H]- 125.038406 121.5
[M]+ 104.06319142 121.2
[M]- 104.06428858 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

No patent data available for this compound.