CID 5044261

17153-56-9

Structural Information

Molecular Formula
C10H12O5S2
SMILES
C1CS(=O)(=O)CC1S(=O)(=O)OC2=CC=CC=C2
InChI
InChI=1S/C10H12O5S2/c11-16(12)7-6-10(8-16)17(13,14)15-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKey
VFMYLFYEULSFGV-UHFFFAOYSA-N
Compound name
phenyl 1,1-dioxothiolane-3-sulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.0126 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.01988 159.2
[M+Na]+ 299.00182 168.3
[M-H]- 275.00532 165.9
[M+NH4]+ 294.04642 179.3
[M+K]+ 314.97576 164.8
[M+H-H2O]+ 259.00986 154.7
[M+HCOO]- 321.01080 172.5
[M+CH3COO]- 335.02645 187.4
[M+Na-2H]- 296.98727 162.5
[M]+ 276.01205 163.0
[M]- 276.01315 163.0
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.