CID 81197960

2361643-40-3

Structural Information

Molecular Formula

C₅H₉F₂NO₂S

SMILES

C1C(CN1)CS(=O)(=O)C(F)F

InChI

InChI=1S/C5H9F2NO2S/c6-5(7)11(9,10)3-4-1-8-2-4/h4-5,8H,1-3H2

InChIKey

YCLQNJHPKNMRBX-UHFFFAOYSA-N

Compound name

3-(difluoromethylsulfonylmethyl)azetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 185.03221 Da
Monoisotopic Mass: 0.2
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]+	186.03949	139.7
[M+Na]+	208.02143	142.1
[M+NH4]+	203.06603	141.2
[M+K]+	223.99537	139.1
[M-H]-	184.02493	132.7
[M+Na-2H]-	206.00688	138.4
[M]+	185.03166	136.8
[M]-	185.03276	136.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.