CID 69646

Ethane, (trifluoromethoxy)-

Structural Information

Molecular Formula

SMILES

CCOC(F)(F)F

InChI

InChI=1S/C3H5F3O/c1-2-7-3(4,5)6/h2H2,1H3

InChIKey

ZPVFXWAIPNKSLJ-UHFFFAOYSA-N

Compound name

trifluoromethoxyethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2171
Patents: 114.02925 Da
Monoisotopic Mass: 1.7
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]+	115.03653	115.1
[M+Na]+	137.01847	124.2
[M-H]-	113.02197	112.1
[M+NH4]+	132.06307	138.0
[M+K]+	152.99241	124.5
[M+H-H2O]+	97.026510	109.1
[M+HCOO]-	159.02745	135.4
[M+CH3COO]-	173.04310	168.2
[M+Na-2H]-	135.00392	122.8
[M]+	114.02870	112.4
[M]-	114.02980	112.4

Literature stripe

literature stripe

Patent stripe

patents stripe