CID 94556

Ethane, 1,1'-[oxybis(methylenesulfonyl)]bis[2-chloro-

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 156.4
[M+Na]+ 320.93954 164.5
[M-H]- 296.94304 156.9
[M+NH4]+ 315.98414 173.3
[M+K]+ 336.91348 159.2
[M+H-H2O]+ 280.94758 153.8
[M+HCOO]- 342.94852 158.8
[M+CH3COO]- 356.96417 191.5
[M+Na-2H]- 318.92499 159.0
[M]+ 297.94977 165.4
[M]- 297.95087 165.4
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

patents stripe