CID 12929868

2,2,2-trifluoroethanesulfonyl fluoride

Structural Information

Molecular Formula

C₂H₂F₄O₂S

SMILES

C(C(F)(F)F)S(=O)(=O)F

InChI

InChI=1S/C2H2F4O2S/c3-2(4,5)1-9(6,7)8/h1H2

InChIKey

NXCZIGSWSGUJGX-UHFFFAOYSA-N

Compound name

2,2,2-trifluoroethanesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 165.97116 Da
Monoisotopic Mass: 1.3
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]+	166.97844	141.3
[M+Na]+	188.96038	146.8
[M+NH4]+	184.00498	145.2
[M+K]+	204.93432	142.2
[M-H]-	164.96388	133.9
[M+Na-2H]-	186.94583	141.1
[M]+	165.97061	139.9
[M]-	165.97171	139.9

Literature stripe

literature stripe

Patent stripe

patents stripe