CID 12260278

1-[(2-chloroethyl)sulfanyl]pentane

Structural Information

Molecular Formula
C7H15ClS
SMILES
CCCCCSCCCl
InChI
InChI=1S/C7H15ClS/c1-2-3-4-6-9-7-5-8/h2-7H2,1H3
InChIKey
PHNOYPOLUCHZIQ-UHFFFAOYSA-N
Compound name
1-(2-chloroethylsulfanyl)pentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

166.0583 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.06558 135.1
[M+Na]+ 189.04752 146.6
[M+NH4]+ 184.09212 144.9
[M+K]+ 205.02146 136.7
[M-H]- 165.05102 136.1
[M+Na-2H]- 187.03297 139.1
[M]+ 166.05775 137.8
[M]- 166.05885 137.8
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