CID 135564452

4-aminopiperidine-1-sulfonyl fluoride hydrochloride

Structural Information

Molecular Formula

C₅H₁₁FN₂O₂S

SMILES

C1CN(CCC1N)S(=O)(=O)F

InChI

InChI=1S/C5H11FN2O2S/c6-11(9,10)8-3-1-5(7)2-4-8/h5H,1-4,7H2

InChIKey

GGUVFXZQUCRMOP-UHFFFAOYSA-N

Compound name

4-aminopiperidine-1-sulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 182.05252 Da
Monoisotopic Mass: -0.3
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]+	183.059796	134.2
[M+Na]+	205.041738	141.2
[M-H]-	181.045244	134.4
[M+NH4]+	200.086343	152.6
[M+K]+	221.015678	139.0
[M+H-H2O]+	165.049780	127.6
[M+HCOO]-	227.050721	147.7
[M+CH3COO]-	241.066371	177.6
[M+Na-2H]-	203.027186	137.1
[M]+	182.05197142	129.5
[M]-	182.05306858	129.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe