CID 115015875

(piperidin-4-yl)methanesulfonyl fluoride hydrochloride

Structural Information

Molecular Formula

C₆H₁₂FNO₂S

SMILES

C1CNCCC1CS(=O)(=O)F

InChI

InChI=1S/C6H12FNO2S/c7-11(9,10)5-6-1-3-8-4-2-6/h6,8H,1-5H2

InChIKey

RTHLDHVQHUQNHH-UHFFFAOYSA-N

Compound name

piperidin-4-ylmethanesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 181.05728 Da
Monoisotopic Mass: 0.5
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]+	182.064556	135.4
[M+Na]+	204.046498	141.6
[M-H]-	180.050004	134.3
[M+NH4]+	199.091103	153.5
[M+K]+	220.020438	138.8
[M+H-H2O]+	164.054540	129.1
[M+HCOO]-	226.055481	146.8
[M+CH3COO]-	240.071131	172.6
[M+Na-2H]-	202.031946	138.5
[M]+	181.05673142	130.7
[M]-	181.05782858	130.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.