CID 100651

Clomesone

Structural Information

Molecular Formula
C4H9ClO5S2
SMILES
CS(=O)(=O)CS(=O)(=O)OCCCl
InChI
InChI=1S/C4H9ClO5S2/c1-11(6,7)4-12(8,9)10-3-2-5/h2-4H2,1H3
InChIKey
SEHSPJCWCBQHPF-UHFFFAOYSA-N
Compound name
2-chloroethyl methylsulfonylmethanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

23
References

1091
Patents

235.958 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.96528 143.5
[M+Na]+ 258.94722 152.5
[M-H]- 234.95072 144.4
[M+NH4]+ 253.99182 162.3
[M+K]+ 274.92116 148.7
[M+H-H2O]+ 218.95526 140.1
[M+HCOO]- 280.95620 151.1
[M+CH3COO]- 294.97185 181.1
[M+Na-2H]- 256.93267 147.4
[M]+ 235.95745 151.3
[M]- 235.95855 151.3
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