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
7
Annotation Hits

186
References

1365
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 120.3
[M+Na]+ 147.00057 129.0
[M-H]- 123.00407 121.1
[M+NH4]+ 142.04517 144.2
[M+K]+ 162.97451 126.5
[M+H-H2O]+ 107.00861 117.1
[M+HCOO]- 169.00955 134.6
[M+CH3COO]- 183.02520 169.3
[M+Na-2H]- 144.98602 124.3
[M]+ 124.01080 124.4
[M]- 124.01190 124.4
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