CID 56828043

1354953-22-2

Structural Information

Molecular Formula

C₆H₁₁FO₃S

SMILES

C1COCCC1CS(=O)(=O)F

InChI

InChI=1S/C6H11FO3S/c7-11(8,9)5-6-1-3-10-4-2-6/h6H,1-5H2

InChIKey

DWTWFCFQDGUAGQ-UHFFFAOYSA-N

Compound name

oxan-4-ylmethanesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 182.04129 Da
Monoisotopic Mass: 0.7
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]+	183.04857	132.9
[M+Na]+	205.03051	139.5
[M-H]-	181.03401	135.5
[M+NH4]+	200.07511	151.8
[M+K]+	221.00445	139.3
[M+H-H2O]+	165.03855	127.1
[M+HCOO]-	227.03949	146.6
[M+CH3COO]-	241.05514	174.7
[M+Na-2H]-	203.01596	137.7
[M]+	182.04074	131.5
[M]-	182.04184	131.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.