CID 44228198

1202577-61-4

Structural Information

Molecular Formula

C₈H₁₃F₃O

SMILES

C1CC(CCC1CO)C(F)(F)F

InChI

InChI=1S/C8H13F3O/c9-8(10,11)7-3-1-6(5-12)2-4-7/h6-7,12H,1-5H2

InChIKey

DYUAPKHFRXRMTL-UHFFFAOYSA-N

Compound name

[4-(trifluoromethyl)cyclohexyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 266
Patents: 182.09184 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]+	183.09912	144.5
[M+Na]+	205.08106	151.5
[M+NH4]+	200.12566	150.4
[M+K]+	221.05500	146.6
[M-H]-	181.08456	141.0
[M+Na-2H]-	203.06651	146.5
[M]+	182.09129	144.1
[M]-	182.09239	144.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe