CID 146049276

2411221-01-5

Structural Information

Molecular Formula

C₇H₁₄FNO₂S

SMILES

C1CC(CNC1)CCS(=O)(=O)F

InChI

InChI=1S/C7H14FNO2S/c8-12(10,11)5-3-7-2-1-4-9-6-7/h7,9H,1-6H2

InChIKey

RMTAOLSNLHMGNB-UHFFFAOYSA-N

Compound name

2-piperidin-3-ylethanesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 195.07292 Da
Monoisotopic Mass: 0.8
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]+	196.08020	139.8
[M+Na]+	218.06214	145.5
[M-H]-	194.06564	138.5
[M+NH4]+	213.10674	157.3
[M+K]+	234.03608	142.5
[M+H-H2O]+	178.07018	133.2
[M+HCOO]-	240.07112	150.8
[M+CH3COO]-	254.08677	175.7
[M+Na-2H]-	216.04759	142.4
[M]+	195.07237	135.4
[M]-	195.07347	135.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.