CID 137938539

3-(3,3-difluorocyclobutyl)-2-methylpropan-1-ol

Structural Information

Molecular Formula
C8H14F2O
SMILES
CC(CC1CC(C1)(F)F)CO
InChI
InChI=1S/C8H14F2O/c1-6(5-11)2-7-3-8(9,10)4-7/h6-7,11H,2-5H2,1H3
InChIKey
WCNXWUTVEZZCBT-UHFFFAOYSA-N
Compound name
3-(3,3-difluorocyclobutyl)-2-methylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.10127 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.108546 136.0
[M+Na]+ 187.090488 142.0
[M-H]- 163.093994 135.9
[M+NH4]+ 182.135093 151.6
[M+K]+ 203.064428 143.3
[M+H-H2O]+ 147.098530 126.0
[M+HCOO]- 209.099471 153.1
[M+CH3COO]- 223.115121 181.0
[M+Na-2H]- 185.075936 139.1
[M]+ 164.10072142 141.0
[M]- 164.10181858 141.0
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.