CID 291904

Nsc157471

Structural Information

Molecular Formula
C6H10O9S3
SMILES
C1C(OS(=O)O1)COS(=O)OCC2COS(=O)O2
InChI
InChI=1S/C6H10O9S3/c7-16(10-1-5-3-12-17(8)14-5)11-2-6-4-13-18(9)15-6/h5-6H,1-4H2
InChIKey
CXAHRKUHYQWUEA-UHFFFAOYSA-N
Compound name
bis[(2-oxo-1,3,2-dioxathiolan-4-yl)methyl] sulfite
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

321.9487 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.95598 164.8
[M+Na]+ 344.93792 172.2
[M-H]- 320.94142 173.2
[M+NH4]+ 339.98252 177.5
[M+K]+ 360.91186 174.4
[M+H-H2O]+ 304.94596 163.3
[M+HCOO]- 366.94690 171.1
[M+CH3COO]- 380.96255 195.7
[M+Na-2H]- 342.92337 165.7
[M]+ 321.94815 172.2
[M]- 321.94925 172.2
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