CID 95948

2-chloroethyl-sec-butyl sulfide

Structural Information

Molecular Formula
C6H13ClS
SMILES
CCC(C)SCCCl
InChI
InChI=1S/C6H13ClS/c1-3-6(2)8-5-4-7/h6H,3-5H2,1-2H3
InChIKey
SZWKDLZVWXCJGZ-UHFFFAOYSA-N
Compound name
2-(2-chloroethylsulfanyl)butane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.04265 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.04993 129.5
[M+Na]+ 175.03187 137.1
[M-H]- 151.03537 130.1
[M+NH4]+ 170.07647 152.3
[M+K]+ 191.00581 134.5
[M+H-H2O]+ 135.03991 126.0
[M+HCOO]- 197.04085 142.2
[M+CH3COO]- 211.05650 176.0
[M+Na-2H]- 173.01732 131.4
[M]+ 152.04210 133.8
[M]- 152.04320 133.8
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

No patent data available for this compound.