CID 10898703

5h-1,2-oxathiole 2,2-dioxide

Structural Information

Molecular Formula
C3H4O3S
SMILES
C1C=CS(=O)(=O)O1
InChI
InChI=1S/C3H4O3S/c4-7(5)3-1-2-6-7/h1,3H,2H2
InChIKey
KLLQVNFCMHPYGL-UHFFFAOYSA-N
Compound name
5H-oxathiole 2,2-dioxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3347
Patents

119.98811 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.99539 115.1
[M+Na]+ 142.97733 125.6
[M-H]- 118.98083 120.4
[M+NH4]+ 138.02193 140.5
[M+K]+ 158.95127 126.2
[M+H-H2O]+ 102.98537 111.9
[M+HCOO]- 164.98631 135.9
[M+CH3COO]- 179.00196 161.5
[M+Na-2H]- 140.96278 122.1
[M]+ 119.98756 118.2
[M]- 119.98866 118.2
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