CID 3808023

25059-70-5

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

205
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 118.3
[M+Na]+ 148.00839 126.7
[M-H]- 124.01189 119.5
[M+NH4]+ 143.05299 141.8
[M+K]+ 163.98233 119.5
[M+H-H2O]+ 108.01643 118.2
[M+HCOO]- 170.01737 131.5
[M+CH3COO]- 184.03302 163.7
[M+Na-2H]- 145.99384 123.4
[M]+ 125.01862 120.4
[M]- 125.01972 120.4
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