CID 77342

Ethylene sulfite

Structural Information

Molecular Formula
C2H4O3S
SMILES
C1COS(=O)O1
InChI
InChI=1S/C2H4O3S/c3-6-4-1-2-5-6/h1-2H2
InChIKey
WDXYVJKNSMILOQ-UHFFFAOYSA-N
Compound name
1,3,2-dioxathiolane 2-oxide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

14978
Patents

107.98811 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.99539 113.7
[M+Na]+ 130.97733 122.7
[M-H]- 106.98083 119.2
[M+NH4]+ 126.02193 136.3
[M+K]+ 146.95127 125.1
[M+H-H2O]+ 90.985370 110.0
[M+HCOO]- 152.98631 132.5
[M+CH3COO]- 167.00196 160.3
[M+Na-2H]- 128.96278 119.8
[M]+ 107.98756 115.9
[M]- 107.98866 115.9
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