CID 135564417

Thiomorpholine-4-sulfonyl fluoride

Structural Information

Molecular Formula

C₄H₈FNO₂S₂

SMILES

C1CSCCN1S(=O)(=O)F

InChI

InChI=1S/C4H8FNO2S2/c5-10(7,8)6-1-3-9-4-2-6/h1-4H2

InChIKey

MLSDFXWQOQQZAF-UHFFFAOYSA-N

Compound name

thiomorpholine-4-sulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 184.99805 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]+	186.00533	132.7
[M+Na]+	207.98727	140.0
[M-H]-	183.99077	133.0
[M+NH4]+	203.03187	151.4
[M+K]+	223.96121	137.1
[M+H-H2O]+	167.99531	126.4
[M+HCOO]-	229.99625	140.6
[M+CH3COO]-	244.01190	174.3
[M+Na-2H]-	205.97272	134.8
[M]+	184.99750	129.9
[M]-	184.99860	129.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.