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

18564
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

literature stripe

Patent stripe

patents stripe