CID 240589

6330-28-5

Structural Information

Molecular Formula

C₅H₁₀Br₂O₄S₂

SMILES

CCS(=O)(=O)C(S(=O)(=O)CC)(Br)Br

InChI

InChI=1S/C5H10Br2O4S2/c1-3-12(8,9)5(6,7)13(10,11)4-2/h3-4H2,1-2H3

InChIKey

RLBAFUSVUDQMON-UHFFFAOYSA-N

Compound name

1-[dibromo(ethylsulfonyl)methyl]sulfonylethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 355.83875 Da
Monoisotopic Mass: 1.4
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]+	356.84603	131.3
[M+Na]+	378.82797	143.7
[M-H]-	354.83147	135.8
[M+NH4]+	373.87257	149.3
[M+K]+	394.80191	126.2
[M+H-H2O]+	338.83601	139.6
[M+HCOO]-	400.83695	137.3
[M+CH3COO]-	414.85260	205.3
[M+Na-2H]-	376.81342	139.4
[M]+	355.83820	167.9
[M]-	355.83930	167.9

Literature stripe

literature stripe

Patent stripe

patents stripe