CID 66570557

1389313-68-1

Structural Information

Molecular Formula

C₆H₉ClF₃NO₂S

SMILES

C1CCN(C(C1)C(F)(F)F)S(=O)(=O)Cl

InChI

InChI=1S/C6H9ClF3NO2S/c7-14(12,13)11-4-2-1-3-5(11)6(8,9)10/h5H,1-4H2

InChIKey

HHYSBNILYUIIAS-UHFFFAOYSA-N

Compound name

2-(trifluoromethyl)piperidine-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 250.99947 Da
Monoisotopic Mass: 2.3
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]+	252.006746	144.0
[M+Na]+	273.988688	152.4
[M-H]-	249.992194	142.2
[M+NH4]+	269.033293	161.1
[M+K]+	289.962628	148.5
[M+H-H2O]+	233.996730	136.9
[M+HCOO]-	295.997671	148.7
[M+CH3COO]-	310.013321	185.5
[M+Na-2H]-	271.974136	146.4
[M]+	250.99892142	140.3
[M]-	251.00001858	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.