CID 105427877

3-(2,2-difluoroethyl)cyclobutan-1-ol

Structural Information

Molecular Formula
C6H10F2O
SMILES
C1C(CC1O)CC(F)F
InChI
InChI=1S/C6H10F2O/c7-6(8)3-4-1-5(9)2-4/h4-6,9H,1-3H2
InChIKey
GGBBBDCCAQZLTI-UHFFFAOYSA-N
Compound name
3-(2,2-difluoroethyl)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

136.06998 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.077256 125.4
[M+Na]+ 159.059198 131.2
[M-H]- 135.062704 125.1
[M+NH4]+ 154.103803 140.1
[M+K]+ 175.033138 133.1
[M+H-H2O]+ 119.067240 114.3
[M+HCOO]- 181.068181 143.1
[M+CH3COO]- 195.083831 175.6
[M+Na-2H]- 157.044646 128.5
[M]+ 136.06943142 129.3
[M]- 136.07052858 129.3
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.