CID 23339754

1-[(chloromethyl)sulfanyl]-2-methoxyethane

Structural Information

Molecular Formula
C4H9ClOS
SMILES
COCCSCCl
InChI
InChI=1S/C4H9ClOS/c1-6-2-3-7-4-5/h2-4H2,1H3
InChIKey
QUCXPEZXBJBDOC-UHFFFAOYSA-N
Compound name
1-(chloromethylsulfanyl)-2-methoxyethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

140.00627 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.01355 123.5
[M+Na]+ 162.99549 132.2
[M-H]- 138.99899 124.4
[M+NH4]+ 158.04009 146.8
[M+K]+ 178.96943 130.1
[M+H-H2O]+ 123.00353 120.2
[M+HCOO]- 185.00447 138.2
[M+CH3COO]- 199.02012 171.1
[M+Na-2H]- 160.98094 127.6
[M]+ 140.00572 129.1
[M]- 140.00682 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

No literature data available for this compound.

Patent stripe

patents stripe