CID 69108075

3279-87-6

Structural Information

Molecular Formula

C₈H₈BrNO₂S

SMILES

C1CS(=O)(=O)NC2=C1C=C(C=C2)Br

InChI

InChI=1S/C8H8BrNO2S/c9-7-1-2-8-6(5-7)3-4-13(11,12)10-8/h1-2,5,10H,3-4H2

InChIKey

LEUKENDFIWVZIB-UHFFFAOYSA-N

Compound name

6-bromo-3,4-dihydro-1H-2lambda6,1-benzothiazine 2,2-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 260.94592 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]+	261.95320	134.1
[M+Na]+	283.93514	137.4
[M+NH4]+	278.97974	140.6
[M+K]+	299.90908	134.8
[M-H]-	259.93864	134.2
[M+Na-2H]-	281.92059	138.4
[M]+	260.94537	133.9
[M]-	260.94647	133.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe