CID 220061

1-chloro-2-methanesulfinylethane

Structural Information

Molecular Formula
C3H7ClOS
SMILES
CS(=O)CCCl
InChI
InChI=1S/C3H7ClOS/c1-6(5)3-2-4/h2-3H2,1H3
InChIKey
LNSWATAJDLOYBE-UHFFFAOYSA-N
Compound name
1-chloro-2-methylsulfinylethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

125.990616 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.99789 118.5
[M+Na]+ 148.97983 127.6
[M-H]- 124.98334 119.6
[M+NH4]+ 144.02444 142.2
[M+K]+ 164.95377 125.5
[M+H-H2O]+ 108.98788 115.5
[M+HCOO]- 170.98882 132.6
[M+CH3COO]- 185.00447 168.0
[M+Na-2H]- 146.96528 122.0
[M]+ 125.99007 122.5
[M]- 125.99116 122.5
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