CID 10898703

Prop-1-ene-1,3-sultone

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

3016
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 119.1
[M+Na]+ 142.97733 129.9
[M+NH4]+ 138.02193 129.3
[M+K]+ 158.95127 123.5
[M-H]- 118.98083 121.0
[M+Na-2H]- 140.96278 125.0
[M]+ 119.98756 121.6
[M]- 119.98866 121.6
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