CID 2760709

70783-48-1

Structural Information

Molecular Formula

C₆H₅F₃O₂

SMILES

C1=COC(=C1)C(C(F)(F)F)O

InChI

InChI=1S/C6H5F3O2/c7-6(8,9)5(10)4-2-1-3-11-4/h1-3,5,10H

InChIKey

JXBLKXYDFYQLOD-UHFFFAOYSA-N

Compound name

2,2,2-trifluoro-1-(furan-2-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 166.02417 Da
Monoisotopic Mass: 1.3
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]+	167.03145	126.6
[M+Na]+	189.01339	135.1
[M-H]-	165.01689	126.0
[M+NH4]+	184.05799	146.9
[M+K]+	204.98733	134.8
[M+H-H2O]+	149.02143	119.9
[M+HCOO]-	211.02237	145.2
[M+CH3COO]-	225.03802	172.5
[M+Na-2H]-	186.99884	132.5
[M]+	166.02362	122.9
[M]-	166.02472	122.9

Literature stripe

literature stripe

Patent stripe

patents stripe