CID 10059642

223684-98-8

Structural Information

Molecular Formula
C11H14ClNS
SMILES
C1CNCCC1SC2=CC(=CC=C2)Cl
InChI
InChI=1S/C11H14ClNS/c12-9-2-1-3-11(8-9)14-10-4-6-13-7-5-10/h1-3,8,10,13H,4-7H2
InChIKey
NVYWZAVYOVONSY-UHFFFAOYSA-N
Compound name
4-(3-chlorophenyl)sulfanylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

227.05354 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.06082 147.2
[M+Na]+ 250.04276 161.0
[M+NH4]+ 245.08736 157.6
[M+K]+ 266.01670 150.4
[M-H]- 226.04626 151.8
[M+Na-2H]- 248.02821 155.1
[M]+ 227.05299 151.3
[M]- 227.05409 151.3
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

patents stripe