CID 219553

5335-84-2

Structural Information

Molecular Formula

C₁₂H₈Br₂S₂

SMILES

C1=CC(=CC=C1SSC2=CC=C(C=C2)Br)Br

InChI

InChI=1S/C12H8Br2S2/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8H

InChIKey

VZQVHIINDXJOQK-UHFFFAOYSA-N

Compound name

1-bromo-4-[(4-bromophenyl)disulfanyl]benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1794
Patents: 373.8434 Da
Monoisotopic Mass: 5.8
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]+	374.85068	127.8
[M+Na]+	396.83262	140.8
[M-H]-	372.83612	137.6
[M+NH4]+	391.87722	146.2
[M+K]+	412.80656	123.5
[M+H-H2O]+	356.84066	137.3
[M+HCOO]-	418.84160	137.7
[M+CH3COO]-	432.85725	143.0
[M+Na-2H]-	394.81807	135.0
[M]+	373.84285	163.7
[M]-	373.84395	163.7

Literature stripe

literature stripe

Patent stripe

patents stripe