CID 155821926

4,4-difluoro-1-(methoxymethyl)cyclohexan-1-ol

Structural Information

Molecular Formula
C8H14F2O2
SMILES
COCC1(CCC(CC1)(F)F)O
InChI
InChI=1S/C8H14F2O2/c1-12-6-7(11)2-4-8(9,10)5-3-7/h11H,2-6H2,1H3
InChIKey
YCMJWDRCINRYBH-UHFFFAOYSA-N
Compound name
4,4-difluoro-1-(methoxymethyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.09619 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.10347 135.8
[M+Na]+ 203.08541 142.9
[M-H]- 179.08891 135.4
[M+NH4]+ 198.13001 159.0
[M+K]+ 219.05935 141.7
[M+H-H2O]+ 163.09345 130.5
[M+HCOO]- 225.09439 153.1
[M+CH3COO]- 239.11004 176.7
[M+Na-2H]- 201.07086 141.5
[M]+ 180.09564 130.8
[M]- 180.09674 130.8
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.