CID 3808023

(2-chloroethyl)dimethylsulfanium iodide

Structural Information

Molecular Formula
C4H10ClS
SMILES
C[S+](C)CCCl
InChI
InChI=1S/C4H10ClS/c1-6(2)4-3-5/h3-4H2,1-2H3/q+1
InChIKey
BGQZPMCUWZITCU-UHFFFAOYSA-N
Compound name
2-chloroethyl(dimethyl)sulfanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

156
Patents

125.01917 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.02645 119.0
[M+Na]+ 148.00839 132.8
[M+NH4]+ 143.05299 130.3
[M+K]+ 163.98233 125.1
[M-H]- 124.01189 121.6
[M+Na-2H]- 145.99384 124.7
[M]+ 125.01862 122.9
[M]- 125.01972 122.9
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