CID 157293

79128-47-5

Structural Information

Molecular Formula

C₁₀H₁₂BrNS

SMILES

C1CNC(SC1)C2=CC(=CC=C2)Br

InChI

InChI=1S/C10H12BrNS/c11-9-4-1-3-8(7-9)10-12-5-2-6-13-10/h1,3-4,7,10,12H,2,5-6H2

InChIKey

OUIOUCHEXSCWJQ-UHFFFAOYSA-N

Compound name

2-(3-bromophenyl)-1,3-thiazinane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 256.98737 Da
Monoisotopic Mass: 2.5
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]+	257.99465	136.1
[M+Na]+	279.97659	139.7
[M+NH4]+	275.02119	142.5
[M+K]+	295.95053	137.4
[M-H]-	255.98009	138.8
[M+Na-2H]-	277.96204	141.4
[M]+	256.98682	136.6
[M]-	256.98792	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.