CID 84549

Bis-tribromomethyl sulfoxide

Structural Information

Molecular Formula

SMILES

C(S(=O)C(Br)(Br)Br)(Br)(Br)Br

InChI

InChI=1S/C2Br6OS/c3-1(4,5)10(9)2(6,7)8

InChIKey

IMXXWWGWTMVZBZ-UHFFFAOYSA-N

Compound name

tribromo(tribromomethylsulfinyl)methane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 116
Patents: 545.477 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]+	546.48428	180.5
[M+Na]+	568.46622	190.8
[M-H]-	544.46972	184.3
[M+NH4]+	563.51082	186.7
[M+K]+	584.44016	179.3
[M+H-H2O]+	528.47426	194.3
[M+HCOO]-	590.47520	182.6
[M+CH3COO]-	604.49085	249.6
[M+Na-2H]-	566.45167	179.0
[M]+	545.47645	201.2
[M]-	545.47755	201.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe