CID 3029710

5-fluoropentane-1-sulfonyl chloride

Structural Information

Molecular Formula

C₅H₁₀ClFO₂S

SMILES

C(CCF)CCS(=O)(=O)Cl

InChI

InChI=1S/C5H10ClFO2S/c6-10(8,9)5-3-1-2-4-7/h1-5H2

InChIKey

PJUGRUHVPVYZRK-UHFFFAOYSA-N

Compound name

5-fluoropentane-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 188.0074 Da
Monoisotopic Mass: 1.8
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]+	189.01468	132.6
[M+Na]+	210.99662	141.7
[M-H]-	187.00012	132.1
[M+NH4]+	206.04122	153.8
[M+K]+	226.97056	138.3
[M+H-H2O]+	171.00466	128.5
[M+HCOO]-	233.00560	145.1
[M+CH3COO]-	247.02125	177.2
[M+Na-2H]-	208.98207	136.4
[M]+	188.00685	137.0
[M]-	188.00795	137.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.