CID 86703447

[1-(trifluoromethyl)cyclohexyl]methanol

Structural Information

Molecular Formula
C8H13F3O
SMILES
C1CCC(CC1)(CO)C(F)(F)F
InChI
InChI=1S/C8H13F3O/c9-8(10,11)7(6-12)4-2-1-3-5-7/h12H,1-6H2
InChIKey
MPRWQIILGRHOAG-UHFFFAOYSA-N
Compound name
[1-(trifluoromethyl)cyclohexyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

182.09184 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.09912 144.1
[M+Na]+ 205.08106 151.0
[M+NH4]+ 200.12566 151.3
[M+K]+ 221.05500 144.4
[M-H]- 181.08456 140.5
[M+Na-2H]- 203.06651 147.8
[M]+ 182.09129 143.8
[M]- 182.09239 143.8
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

patents stripe