CID 64399341

4,4-dimethyl-1-(trifluoromethyl)cyclohexan-1-ol

Structural Information

Molecular Formula
C9H15F3O
SMILES
CC1(CCC(CC1)(C(F)(F)F)O)C
InChI
InChI=1S/C9H15F3O/c1-7(2)3-5-8(13,6-4-7)9(10,11)12/h13H,3-6H2,1-2H3
InChIKey
UTPZFCMZNXOMHS-UHFFFAOYSA-N
Compound name
4,4-dimethyl-1-(trifluoromethyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.1075 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.11478 139.8
[M+Na]+ 219.09672 147.2
[M-H]- 195.10022 138.2
[M+NH4]+ 214.14132 162.6
[M+K]+ 235.07066 145.3
[M+H-H2O]+ 179.10476 134.3
[M+HCOO]- 241.10570 154.0
[M+CH3COO]- 255.12135 180.3
[M+Na-2H]- 217.08217 145.2
[M]+ 196.10695 131.9
[M]- 196.10805 131.9
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.