CID 120565

Bis(p-bromophenyl)sulfoxide

Structural Information

Molecular Formula

C₁₂H₈Br₂OS

SMILES

C1=CC(=CC=C1S(=O)C2=CC=C(C=C2)Br)Br

InChI

InChI=1S/C12H8Br2OS/c13-9-1-5-11(6-2-9)16(15)12-7-3-10(14)4-8-12/h1-8H

InChIKey

QJMIKDAPJKCCHL-UHFFFAOYSA-N

Compound name

1-bromo-4-(4-bromophenyl)sulfinylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 79
Patents: 357.86627 Da
Monoisotopic Mass: 4.1
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]+	358.87355	139.9
[M+Na]+	380.85549	151.6
[M-H]-	356.85899	149.7
[M+NH4]+	375.90009	158.0
[M+K]+	396.82943	135.7
[M+H-H2O]+	340.86353	148.7
[M+HCOO]-	402.86447	152.9
[M+CH3COO]-	416.88012	154.6
[M+Na-2H]-	378.84094	146.1
[M]+	357.86572	175.4
[M]-	357.86682	175.4

Literature stripe

literature stripe

Patent stripe

patents stripe