CID 5972561

Ethene, 1,2-bis(ethylsulfonyl)-

Structural Information

Molecular Formula

C₆H₁₂O₄S₂

SMILES

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

InChI

InChI=1S/C6H12O4S2/c1-3-11(7,8)5-6-12(9,10)4-2/h5-6H,3-4H2,1-2H3/b6-5+

InChIKey

GYSFJIQTRDNGAM-AATRIKPKSA-N

Compound name

(E)-1,2-bis(ethylsulfonyl)ethene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 212.0177 Da
Monoisotopic Mass: -0.3
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]+	213.024976	143.6
[M+Na]+	235.006918	151.9
[M-H]-	211.010424	143.8
[M+NH4]+	230.051523	162.6
[M+K]+	250.980858	148.2
[M+H-H2O]+	195.014960	138.9
[M+HCOO]-	257.015901	154.8
[M+CH3COO]-	271.031551	179.6
[M+Na-2H]-	232.992366	146.4
[M]+	212.01715142	148.4
[M]-	212.01824858	148.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe