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

16
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 133.8
[M+Na]+ 189.04752 141.3
[M-H]- 165.05102 134.1
[M+NH4]+ 184.09212 156.1
[M+K]+ 205.02146 137.9
[M+H-H2O]+ 149.05556 130.0
[M+HCOO]- 211.05650 147.2
[M+CH3COO]- 225.07215 178.3
[M+Na-2H]- 187.03297 136.3
[M]+ 166.05775 139.1
[M]- 166.05885 139.1
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