CID 12229320

57446-43-2

Structural Information

Molecular Formula

C₁₀H₁₂BrNO₂S

SMILES

C1CCS(=O)(=O)N(C1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C10H12BrNO2S/c11-9-3-5-10(6-4-9)12-7-1-2-8-15(12,13)14/h3-6H,1-2,7-8H2

InChIKey

JERFCXIVDCLPHN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 288.9772 Da
Monoisotopic Mass: 2.2
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]+	289.98448	142.4
[M+Na]+	311.96642	154.3
[M-H]-	287.96992	150.6
[M+NH4]+	307.01102	163.1
[M+K]+	327.94036	142.9
[M+H-H2O]+	271.97446	143.0
[M+HCOO]-	333.97540	156.6
[M+CH3COO]-	347.99105	191.7
[M+Na-2H]-	309.95187	148.8
[M]+	288.97665	160.5
[M]-	288.97775	160.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe