CID 11032089

150221-22-0

Structural Information

Molecular Formula

C₁₁H₁₄FNO₂S

SMILES

C1CNCCC1S(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C11H14FNO2S/c12-9-1-3-10(4-2-9)16(14,15)11-5-7-13-8-6-11/h1-4,11,13H,5-8H2

InChIKey

WUWFTIGTTQLIMI-UHFFFAOYSA-N

Compound name

4-(4-fluorophenyl)sulfonylpiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 147
Patents: 243.07292 Da
Monoisotopic Mass: 1.4
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]+	244.080196	150.7
[M+Na]+	266.062138	157.1
[M-H]-	242.065644	152.8
[M+NH4]+	261.106743	166.2
[M+K]+	282.036078	152.4
[M+H-H2O]+	226.070180	143.0
[M+HCOO]-	288.071121	162.1
[M+CH3COO]-	302.086771	184.6
[M+Na-2H]-	264.047586	153.4
[M]+	243.07237142	145.7
[M]-	243.07346858	145.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe