CID 496636

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

Structural Information

Molecular Formula
C4H7ClO3S
SMILES
C1C(OS(=O)O1)CCCl
InChI
InChI=1S/C4H7ClO3S/c5-2-1-4-3-7-9(6)8-4/h4H,1-3H2
InChIKey
JQXQMWFXAIUQON-UHFFFAOYSA-N
Compound name
4-(2-chloroethyl)-1,3,2-dioxathiolane 2-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.98044 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.98772 129.6
[M+Na]+ 192.96966 139.0
[M-H]- 168.97316 135.0
[M+NH4]+ 188.01426 150.7
[M+K]+ 208.94360 139.0
[M+H-H2O]+ 152.97770 126.4
[M+HCOO]- 214.97864 142.9
[M+CH3COO]- 228.99429 171.3
[M+Na-2H]- 190.95511 133.4
[M]+ 169.97989 134.4
[M]- 169.98099 134.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.