CID 76929

3393-78-0

Structural Information

Molecular Formula

C₁₂H₈Br₂S

SMILES

C1=CC(=CC=C1SC2=CC=C(C=C2)Br)Br

InChI

InChI=1S/C12H8Br2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H

InChIKey

CLPVCAXOQZIJGW-UHFFFAOYSA-N

Compound name

1-bromo-4-(4-bromophenyl)sulfanylbenzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 181
Patents: 341.87134 Da
Monoisotopic Mass: 5.4
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]+	342.87862	137.9
[M+Na]+	364.86056	135.1
[M+NH4]+	359.90516	141.5
[M+K]+	380.83450	139.7
[M-H]-	340.86406	141.0
[M+Na-2H]-	362.84601	142.8
[M]+	341.87079	137.8
[M]-	341.87189	137.8

Literature stripe

literature stripe

Patent stripe

patents stripe