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
3
Annotation Hits

0
References

0
Patents

281.9554 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.96268 165.0
[M+Na]+ 304.94462 173.4
[M+NH4]+ 299.98922 170.9
[M+K]+ 320.91856 165.0
[M-H]- 280.94812 161.4
[M+Na-2H]- 302.93007 164.9
[M]+ 281.95485 166.4
[M]- 281.95595 166.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.