CID 42718

5-(chloromethyl)-1,3-oxathiolane

Structural Information

Molecular Formula
C4H7ClOS
SMILES
C1C(OCS1)CCl
InChI
InChI=1S/C4H7ClOS/c5-1-4-2-7-3-6-4/h4H,1-3H2
InChIKey
ZCMZVXAJXQFYOI-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-1,3-oxathiolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

137.99062 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.997896 124.3
[M+Na]+ 160.979838 132.8
[M-H]- 136.983344 128.7
[M+NH4]+ 156.024443 147.9
[M+K]+ 176.953778 131.7
[M+H-H2O]+ 120.987880 120.8
[M+HCOO]- 182.988821 137.9
[M+CH3COO]- 197.004471 167.0
[M+Na-2H]- 158.965286 127.7
[M]+ 137.99007142 126.1
[M]- 137.99116858 126.1
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

patents stripe