CID 155821509

1195706-31-0

Structural Information

Molecular Formula

C₅H₇BrO₂S

SMILES

C1CS(=O)(=O)CC=C1Br

InChI

InChI=1S/C5H7BrO2S/c6-5-1-3-9(7,8)4-2-5/h1H,2-4H2

InChIKey

IEALZOHSWYAFJZ-UHFFFAOYSA-N

Compound name

4-bromo-3,6-dihydro-2H-thiopyran 1,1-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 209.93501 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]+	210.94229	122.6
[M+Na]+	232.92423	125.2
[M+NH4]+	227.96883	129.4
[M+K]+	248.89817	123.1
[M-H]-	208.92773	123.0
[M+Na-2H]-	230.90968	127.4
[M]+	209.93446	122.4
[M]-	209.93556	122.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.