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]+ 165.10855 136.0
[M+Na]+ 187.09049 142.0
[M-H]- 163.09399 135.9
[M+NH4]+ 182.13509 151.6
[M+K]+ 203.06443 143.3
[M+H-H2O]+ 147.09853 126.0
[M+HCOO]- 209.09947 153.1
[M+CH3COO]- 223.11512 181.0
[M+Na-2H]- 185.07594 139.1
[M]+ 164.10072 141.0
[M]- 164.10182 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.