CID 14075

1,3,2-dioxathiolane 2,2-dioxide

Structural Information

Molecular Formula
C2H4O4S
SMILES
C1COS(=O)(=O)O1
InChI
InChI=1S/C2H4O4S/c3-7(4)5-1-2-6-7/h1-2H2
InChIKey
ZPFAVCIQZKRBGF-UHFFFAOYSA-N
Compound name
1,3,2-dioxathiolane 2,2-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19921
Patents

123.98303 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.99031 114.5
[M+Na]+ 146.97225 124.3
[M-H]- 122.97575 120.2
[M+NH4]+ 142.01685 138.3
[M+K]+ 162.94619 126.8
[M+H-H2O]+ 106.98029 111.7
[M+HCOO]- 168.98123 133.6
[M+CH3COO]- 182.99688 161.2
[M+Na-2H]- 144.95770 122.3
[M]+ 123.98248 117.9
[M]- 123.98358 117.9
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.