CID 105427138

2-cyclobutyl-2-fluoroethan-1-ol

Structural Information

Molecular Formula
C6H11FO
SMILES
C1CC(C1)C(CO)F
InChI
InChI=1S/C6H11FO/c7-6(4-8)5-2-1-3-5/h5-6,8H,1-4H2
InChIKey
MXTXZSFKKWPQLV-UHFFFAOYSA-N
Compound name
2-cyclobutyl-2-fluoroethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

118.07939 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.086666 122.5
[M+Na]+ 141.068608 127.5
[M-H]- 117.072114 123.3
[M+NH4]+ 136.113213 137.7
[M+K]+ 157.042548 129.8
[M+H-H2O]+ 101.076650 112.2
[M+HCOO]- 163.077591 141.4
[M+CH3COO]- 177.093241 171.8
[M+Na-2H]- 139.054056 127.0
[M]+ 118.07884142 127.3
[M]- 118.07993858 127.3
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.