CID 61645213

1226507-56-7

Structural Information

Molecular Formula

C₆H₉F₃O₂

SMILES

C1COCC1C(C(F)(F)F)O

InChI

InChI=1S/C6H9F3O2/c7-6(8,9)5(10)4-1-2-11-3-4/h4-5,10H,1-3H2

InChIKey

WPMRYUXKQGRDQO-UHFFFAOYSA-N

Compound name

2,2,2-trifluoro-1-(oxolan-3-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 170.05547 Da
Monoisotopic Mass: 1.0
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	130.8
[M+Na]+	193.04469	137.2
[M-H]-	169.04819	129.3
[M+NH4]+	188.08929	150.6
[M+K]+	209.01863	137.3
[M+H-H2O]+	153.05273	124.0
[M+HCOO]-	215.05367	146.4
[M+CH3COO]-	229.06932	173.2
[M+Na-2H]-	191.03014	134.7
[M]+	170.05492	124.1
[M]-	170.05602	124.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe