CID 10635181

2-(trifluoromethoxy)ethyl trifluoromethanesulfonate

Structural Information

Molecular Formula

C₄H₄F₆O₄S

SMILES

C(COS(=O)(=O)C(F)(F)F)OC(F)(F)F

InChI

InChI=1S/C4H4F6O4S/c5-3(6,7)13-1-2-14-15(11,12)4(8,9)10/h1-2H2

InChIKey

XNNJMXBWUMKLRR-UHFFFAOYSA-N

Compound name

2-(trifluoromethoxy)ethyl trifluoromethanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 168
Patents: 261.97345 Da
Monoisotopic Mass: 1.9
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]+	262.98073	141.5
[M+Na]+	284.96267	150.7
[M-H]-	260.96617	134.5
[M+NH4]+	280.00727	158.2
[M+K]+	300.93661	149.3
[M+H-H2O]+	244.97071	132.2
[M+HCOO]-	306.97165	150.9
[M+CH3COO]-	320.98730	188.2
[M+Na-2H]-	282.94812	145.7
[M]+	261.97290	138.8
[M]-	261.97400	138.8

Literature stripe

literature stripe

Patent stripe

patents stripe