CID 50901598

1256469-25-6

Structural Information

Molecular Formula

C₆H₃F₃O₅S

SMILES

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

InChI

InChI=1S/C6H3F3O5S/c7-6(8,9)15(11,12)14-4-2-1-3-13-5(4)10/h1-3H

InChIKey

WEQIQBJSTNLUCO-UHFFFAOYSA-N

Compound name

(2-oxopyran-3-yl) trifluoromethanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 243.96533 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]+	244.97261	138.6
[M+Na]+	266.95455	149.5
[M-H]-	242.95805	140.1
[M+NH4]+	261.99915	155.2
[M+K]+	282.92849	148.6
[M+H-H2O]+	226.96259	131.0
[M+HCOO]-	288.96353	153.6
[M+CH3COO]-	302.97918	183.5
[M+Na-2H]-	264.94000	145.8
[M]+	243.96478	140.9
[M]-	243.96588	140.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.