CID 12733

2-chloroethyl ethyl sulfide

Structural Information

Molecular Formula
C4H9ClS
SMILES
CCSCCCl
InChI
InChI=1S/C4H9ClS/c1-2-6-4-3-5/h2-4H2,1H3
InChIKey
GBNVXYXIRHSYEG-UHFFFAOYSA-N
Compound name
1-chloro-2-ethylsulfanylethane
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

184
References

1170
Patents

124.01135 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.01863 122.0
[M+Na]+ 147.00057 134.1
[M+NH4]+ 142.04517 132.2
[M+K]+ 162.97451 124.8
[M-H]- 123.00407 123.0
[M+Na-2H]- 144.98602 126.7
[M]+ 124.01080 124.8
[M]- 124.01190 124.8
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