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]+ 138.99790 124.3
[M+Na]+ 160.97984 132.8
[M-H]- 136.98334 128.7
[M+NH4]+ 156.02444 147.9
[M+K]+ 176.95378 131.7
[M+H-H2O]+ 120.98788 120.8
[M+HCOO]- 182.98882 137.9
[M+CH3COO]- 197.00447 167.0
[M+Na-2H]- 158.96529 127.7
[M]+ 137.99007 126.1
[M]- 137.99117 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