CID 214273

2-chloroethyl ethyl sulfoxide

Structural Information

Molecular Formula
C4H9ClOS
SMILES
CCS(=O)CCCl
InChI
InChI=1S/C4H9ClOS/c1-2-7(6)4-3-5/h2-4H2,1H3
InChIKey
LIPRCTSGLFLUNJ-UHFFFAOYSA-N
Compound name
1-chloro-2-ethylsulfinylethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

140.00627 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.01355 123.1
[M+Na]+ 162.99549 131.8
[M-H]- 138.99899 124.0
[M+NH4]+ 158.04009 146.2
[M+K]+ 178.96943 129.4
[M+H-H2O]+ 123.00353 119.9
[M+HCOO]- 185.00447 136.9
[M+CH3COO]- 199.02012 171.0
[M+Na-2H]- 160.98094 126.0
[M]+ 140.00572 127.4
[M]- 140.00682 127.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe