CID 85804

4-(chloromethyl)-1,3,2-dioxathiolane 2-oxide

Structural Information

Molecular Formula
C3H5ClO3S
SMILES
C1C(OS(=O)O1)CCl
InChI
InChI=1S/C3H5ClO3S/c4-1-3-2-6-8(5)7-3/h3H,1-2H2
InChIKey
RGDJXHLNJJZNGO-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-1,3,2-dioxathiolane 2-oxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

155.9648 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.97208 126.0
[M+Na]+ 178.95402 137.1
[M+NH4]+ 173.99862 135.0
[M+K]+ 194.92796 132.4
[M-H]- 154.95752 129.3
[M+Na-2H]- 176.93947 128.9
[M]+ 155.96425 129.1
[M]- 155.96535 129.1
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