CID 165993787

3-(4,4-difluorocyclohexyl)-2-methylpropan-1-ol

Structural Information

Molecular Formula
C10H18F2O
SMILES
CC(CC1CCC(CC1)(F)F)CO
InChI
InChI=1S/C10H18F2O/c1-8(7-13)6-9-2-4-10(11,12)5-3-9/h8-9,13H,2-7H2,1H3
InChIKey
ZMCXKXDWRAECMG-UHFFFAOYSA-N
Compound name
3-(4,4-difluorocyclohexyl)-2-methylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.13257 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.13985 143.1
[M+Na]+ 215.12179 148.2
[M-H]- 191.12529 142.0
[M+NH4]+ 210.16639 163.9
[M+K]+ 231.09573 146.3
[M+H-H2O]+ 175.12983 136.9
[M+HCOO]- 237.13077 158.5
[M+CH3COO]- 251.14642 181.8
[M+Na-2H]- 213.10724 145.2
[M]+ 192.13202 136.3
[M]- 192.13312 136.3
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.