CID 19847

1,2-bis(2-chloroethylsulfonyl)ethane

Structural Information

Molecular Formula

C₆H₁₂Cl₂O₄S₂

SMILES

C(CS(=O)(=O)CCCl)S(=O)(=O)CCCl

InChI

InChI=1S/C6H12Cl2O4S2/c7-1-3-13(9,10)5-6-14(11,12)4-2-8/h1-6H2

InChIKey

FQMRVYDYXSOKHL-UHFFFAOYSA-N

Compound name

1,2-bis(2-chloroethylsulfonyl)ethane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 4
Patents: 281.9554 Da
Monoisotopic Mass: 0.2
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]+	282.962676	154.0
[M+Na]+	304.944618	162.3
[M-H]-	280.948124	154.5
[M+NH4]+	299.989223	171.5
[M+K]+	320.918558	156.5
[M+H-H2O]+	264.952660	151.4
[M+HCOO]-	326.953601	156.0
[M+CH3COO]-	340.969251	189.5
[M+Na-2H]-	302.930066	156.1
[M]+	281.95485142	161.6
[M]-	281.95594858	161.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe