CID 2777485

2-(trifluoromethyl)cyclohexanol

Structural Information

Molecular Formula
C7H11F3O
SMILES
C1CCC(C(C1)C(F)(F)F)O
InChI
InChI=1S/C7H11F3O/c8-7(9,10)5-3-1-2-4-6(5)11/h5-6,11H,1-4H2
InChIKey
BGAGPUHWVOHHTP-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

168.0762 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.08348 132.2
[M+Na]+ 191.06542 138.5
[M-H]- 167.06892 130.1
[M+NH4]+ 186.11002 152.0
[M+K]+ 207.03936 136.6
[M+H-H2O]+ 151.07346 125.2
[M+HCOO]- 213.07440 147.0
[M+CH3COO]- 227.09005 174.9
[M+Na-2H]- 189.05087 136.2
[M]+ 168.07565 122.8
[M]- 168.07675 122.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe