CID 61644638

4-(trifluoromethyl)oxan-4-ol

Structural Information

Molecular Formula

C₆H₉F₃O₂

SMILES

C1COCCC1(C(F)(F)F)O

InChI

InChI=1S/C6H9F3O2/c7-6(8,9)5(10)1-3-11-4-2-5/h10H,1-4H2

InChIKey

MLILQWLEIJLQNC-UHFFFAOYSA-N

Compound name

4-(trifluoromethyl)oxan-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 170.05547 Da
Monoisotopic Mass: 0.9
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]+	171.06275	139.6
[M+Na]+	193.04469	146.8
[M+NH4]+	188.08929	146.6
[M+K]+	209.01863	141.3
[M-H]-	169.04819	136.9
[M+Na-2H]-	191.03014	143.0
[M]+	170.05492	139.6
[M]-	170.05602	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe