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: 16
Patents: 168.0762 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	169.08348	140.3
[M+Na]+	191.06542	147.6
[M+NH4]+	186.11002	146.4
[M+K]+	207.03936	142.8
[M-H]-	167.06892	136.9
[M+Na-2H]-	189.05087	142.6
[M]+	168.07565	140.0
[M]-	168.07675	140.0

Literature stripe

literature stripe

Patent stripe

patents stripe