CID 105432379

(2,2-difluoro-1-methylcyclohexyl)methanol

Structural Information

Molecular Formula
C8H14F2O
SMILES
CC1(CCCCC1(F)F)CO
InChI
InChI=1S/C8H14F2O/c1-7(6-11)4-2-3-5-8(7,9)10/h11H,2-6H2,1H3
InChIKey
BALRBEOKAXBKSP-UHFFFAOYSA-N
Compound name
(2,2-difluoro-1-methylcyclohexyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.10127 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.108546 132.6
[M+Na]+ 187.090488 139.8
[M-H]- 163.093994 132.3
[M+NH4]+ 182.135093 156.6
[M+K]+ 203.064428 138.1
[M+H-H2O]+ 147.098530 127.5
[M+HCOO]- 209.099471 149.7
[M+CH3COO]- 223.115121 174.7
[M+Na-2H]- 185.075936 138.3
[M]+ 164.10072142 126.1
[M]- 164.10181858 126.1
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.