CID 93227

41123-59-5

Structural Information

Molecular Formula
C5H10Cl2O4S2
SMILES
C(CCl)S(=O)(=O)CS(=O)(=O)CCCl
InChI
InChI=1S/C5H10Cl2O4S2/c6-1-3-12(8,9)5-13(10,11)4-2-7/h1-5H2
InChIKey
CJUSGQJXURKKBQ-UHFFFAOYSA-N
Compound name
1-chloro-2-(2-chloroethylsulfonylmethylsulfonyl)ethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

267.93976 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.94704 161.0
[M+Na]+ 290.92898 169.7
[M+NH4]+ 285.97358 167.1
[M+K]+ 306.90292 161.5
[M-H]- 266.93248 157.5
[M+Na-2H]- 288.91443 161.2
[M]+ 267.93921 162.4
[M]- 267.94031 162.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe