CID 3755078

101768-63-2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
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 146.4
[M+Na]+ 250.04276 152.9
[M-H]- 226.04626 149.7
[M+NH4]+ 245.08736 163.8
[M+K]+ 266.01670 146.9
[M+H-H2O]+ 210.05080 140.3
[M+HCOO]- 272.05174 155.1
[M+CH3COO]- 286.06739 157.4
[M+Na-2H]- 248.02821 148.5
[M]+ 227.05299 143.5
[M]- 227.05409 143.5
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