CID 631120

2,8-dibromodibenzothiophene

Structural Information

Molecular Formula

C₁₂H₆Br₂S

SMILES

C1=CC2=C(C=C1Br)C3=C(S2)C=CC(=C3)Br

InChI

InChI=1S/C12H6Br2S/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6H

InChIKey

WNEXSUAHKVAPFK-UHFFFAOYSA-N

Compound name

2,8-dibromodibenzothiophene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1010
Patents: 339.8557 Da
Monoisotopic Mass: 5.7
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]+	340.86298	141.0
[M+Na]+	362.84492	138.1
[M+NH4]+	357.88952	145.0
[M+K]+	378.81886	143.4
[M-H]-	338.84842	143.3
[M+Na-2H]-	360.83037	144.1
[M]+	339.85515	140.6
[M]-	339.85625	140.6

Literature stripe

literature stripe

Patent stripe

patents stripe