CID 54592522

3-(2,2,2-trifluoroethoxy)propan-1-ol

Structural Information

Molecular Formula

C₅H₉F₃O₂

SMILES

C(CO)COCC(F)(F)F

InChI

InChI=1S/C5H9F3O2/c6-5(7,8)4-10-3-1-2-9/h9H,1-4H2

InChIKey

RARMGHAEERVMCW-UHFFFAOYSA-N

Compound name

3-(2,2,2-trifluoroethoxy)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 158.05547 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]+	159.06275	135.9
[M+Na]+	181.04469	142.5
[M+NH4]+	176.08929	140.7
[M+K]+	197.01863	138.5
[M-H]-	157.04819	129.9
[M+Na-2H]-	179.03014	137.0
[M]+	158.05492	134.6
[M]-	158.05602	134.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.