CID 11817163

S-(trifluoromethyl) trifluoromethanesulfonothioate

Structural Information

Molecular Formula

C₂F₆O₂S₂

SMILES

C(F)(F)(F)SS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C2F6O2S2/c3-1(4,5)11-12(9,10)2(6,7)8

InChIKey

NRDFWKDYCRAOTE-UHFFFAOYSA-N

Compound name

trifluoro(trifluoromethylsulfonylsulfanyl)methane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 233.9244 Da
Monoisotopic Mass: 2.5
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]+	234.93168	132.4
[M+Na]+	256.91362	141.9
[M-H]-	232.91712	125.3
[M+NH4]+	251.95822	150.0
[M+K]+	272.88756	138.5
[M+H-H2O]+	216.92166	123.0
[M+HCOO]-	278.92260	136.2
[M+CH3COO]-	292.93825	183.2
[M+Na-2H]-	254.89907	134.5
[M]+	233.92385	127.0
[M]-	233.92495	127.0

Literature stripe

literature stripe

Patent stripe

patents stripe