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

0
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 123.9
[M+Na]+ 160.97984 135.1
[M+NH4]+ 156.02444 134.4
[M+K]+ 176.95378 128.7
[M-H]- 136.98334 127.2
[M+Na-2H]- 158.96529 128.3
[M]+ 137.99007 127.1
[M]- 137.99117 127.1
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

No patent data available for this compound.