CID 61286723

1803583-00-7

Structural Information

Molecular Formula

C₆H₁₂BrNO₂S

SMILES

C1CS(=O)(=O)CCN1CCBr

InChI

InChI=1S/C6H12BrNO2S/c7-1-2-8-3-5-11(9,10)6-4-8/h1-6H2

InChIKey

KSLHIPUHZCGRLP-UHFFFAOYSA-N

Compound name

4-(2-bromoethyl)-1,4-thiazinane 1,1-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 240.9772 Da
Monoisotopic Mass: 0.2
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]+	241.98448	130.7
[M+Na]+	263.96642	142.2
[M-H]-	239.96992	135.7
[M+NH4]+	259.01102	153.3
[M+K]+	279.94036	131.6
[M+H-H2O]+	223.97446	132.1
[M+HCOO]-	285.97540	144.5
[M+CH3COO]-	299.99105	183.5
[M+Na-2H]-	261.95187	137.2
[M]+	240.97665	149.3
[M]-	240.97775	149.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.