CID 139052

1-bromo-2-(2-bromoethanesulfonyl)ethane

Structural Information

Molecular Formula

C₄H₈Br₂O₂S

SMILES

C(CBr)S(=O)(=O)CCBr

InChI

InChI=1S/C4H8Br2O2S/c5-1-3-9(7,8)4-2-6/h1-4H2

InChIKey

JASUZIAETLGSCB-UHFFFAOYSA-N

Compound name

1-bromo-2-(2-bromoethylsulfonyl)ethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 77
Patents: 277.86118 Da
Monoisotopic Mass: 1.1
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]+	278.86846	124.0
[M+Na]+	300.85040	136.3
[M-H]-	276.85390	128.8
[M+NH4]+	295.89500	144.6
[M+K]+	316.82434	120.1
[M+H-H2O]+	260.85844	132.7
[M+HCOO]-	322.85938	136.2
[M+CH3COO]-	336.87503	197.2
[M+Na-2H]-	298.83585	131.7
[M]+	277.86063	160.5
[M]-	277.86173	160.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe