CID 52325468

1044924-09-5

Structural Information

Molecular Formula

C₁₁H₁₄BrNO₂S

SMILES

C1CS(=O)(=O)CCN1CC2=CC=C(C=C2)Br

InChI

InChI=1S/C11H14BrNO2S/c12-11-3-1-10(2-4-11)9-13-5-7-16(14,15)8-6-13/h1-4H,5-9H2

InChIKey

KSSKLCBHWXGCIQ-UHFFFAOYSA-N

Compound name

4-[(4-bromophenyl)methyl]-1,4-thiazinane 1,1-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 77
Patents: 302.99286 Da
Monoisotopic Mass: 1.6
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]+	304.000136	146.7
[M+Na]+	325.982078	158.2
[M-H]-	301.985584	154.7
[M+NH4]+	321.026683	166.8
[M+K]+	341.956018	146.5
[M+H-H2O]+	285.990120	147.1
[M+HCOO]-	347.991061	160.6
[M+CH3COO]-	362.006711	194.4
[M+Na-2H]-	323.967526	152.6
[M]+	302.99231142	165.1
[M]-	302.99340858	165.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe