CID 12352700

64260-76-0

Structural Information

Molecular Formula

C₈H₇BrO₂S

SMILES

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

InChI

InChI=1S/C8H7BrO2S/c9-7-1-2-8-6(5-7)3-4-12(8,10)11/h1-2,5H,3-4H2

InChIKey

MNWPIGZDBXJGCE-UHFFFAOYSA-N

Compound name

5-bromo-2,3-dihydro-1-benzothiophene 1,1-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 87
Patents: 245.93501 Da
Monoisotopic Mass: 1.9
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]+	246.94229	134.8
[M+Na]+	268.92423	137.8
[M+NH4]+	263.96883	142.0
[M+K]+	284.89817	136.2
[M-H]-	244.92773	135.4
[M+Na-2H]-	266.90968	138.8
[M]+	245.93446	134.7
[M]-	245.93556	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe