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

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 154.0
[M+Na]+ 304.94462 162.3
[M-H]- 280.94812 154.5
[M+NH4]+ 299.98922 171.5
[M+K]+ 320.91856 156.5
[M+H-H2O]+ 264.95266 151.4
[M+HCOO]- 326.95360 156.0
[M+CH3COO]- 340.96925 189.5
[M+Na-2H]- 302.93007 156.1
[M]+ 281.95485 161.6
[M]- 281.95595 161.6
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

patents stripe