CID 90027

23199-56-6

Structural Information

Molecular Formula

C₃H₂Cl₃F₃O₃S

SMILES

C(C(F)(F)F)OS(=O)(=O)C(Cl)(Cl)Cl

InChI

InChI=1S/C3H2Cl3F3O3S/c4-3(5,6)13(10,11)12-1-2(7,8)9/h1H2

InChIKey

GOIWZZQXWJVDOG-UHFFFAOYSA-N

Compound name

2,2,2-trifluoroethyl trichloromethanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 675
Patents: 279.87424 Da
Monoisotopic Mass: 2.7
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]+	280.88152	140.0
[M+Na]+	302.86346	150.2
[M-H]-	278.86696	136.8
[M+NH4]+	297.90806	157.7
[M+K]+	318.83740	145.6
[M+H-H2O]+	262.87150	136.6
[M+HCOO]-	324.87244	138.5
[M+CH3COO]-	338.88809	188.5
[M+Na-2H]-	300.84891	144.4
[M]+	279.87369	142.0
[M]-	279.87479	142.0

Literature stripe

literature stripe

Patent stripe

patents stripe