CID 154814547

2551115-18-3

Structural Information

Molecular Formula

C₆H₁₁F₂NO₂S

SMILES

C1CNCCC1S(=O)(=O)C(F)F

InChI

InChI=1S/C6H11F2NO2S/c7-6(8)12(10,11)5-1-3-9-4-2-5/h5-6,9H,1-4H2

InChIKey

WTWRGUJBELGTKU-UHFFFAOYSA-N

Compound name

4-(difluoromethylsulfonyl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 199.04785 Da
Monoisotopic Mass: 0.7
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]+	200.05513	137.3
[M+Na]+	222.03707	143.1
[M-H]-	198.04057	134.8
[M+NH4]+	217.08167	154.5
[M+K]+	238.01101	140.4
[M+H-H2O]+	182.04511	130.0
[M+HCOO]-	244.04605	146.5
[M+CH3COO]-	258.06170	176.2
[M+Na-2H]-	220.02252	138.8
[M]+	199.04730	130.8
[M]-	199.04840	130.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.