CID 94556

53061-10-2

Structural Information

Molecular Formula
C6H12Cl2O5S2
SMILES
C(CCl)S(=O)(=O)COCS(=O)(=O)CCCl
InChI
InChI=1S/C6H12Cl2O5S2/c7-1-3-14(9,10)5-13-6-15(11,12)4-2-8/h1-6H2
InChIKey
PEPHICBDUBUZCC-UHFFFAOYSA-N
Compound name
1-chloro-2-(2-chloroethylsulfonylmethoxymethylsulfonyl)ethane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

297.95032 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.95760 167.2
[M+Na]+ 320.93954 175.2
[M+NH4]+ 315.98414 172.6
[M+K]+ 336.91348 167.3
[M-H]- 296.94304 163.2
[M+Na-2H]- 318.92499 166.9
[M]+ 297.94977 168.4
[M]- 297.95087 168.4
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.