CID 51059939

4-((4-chloro-2-nitrophenyl)thio)piperidine hydrochloride

Structural Information

Molecular Formula
C11H13ClN2O2S
SMILES
C1CNCCC1SC2=C(C=C(C=C2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C11H13ClN2O2S/c12-8-1-2-11(10(7-8)14(15)16)17-9-3-5-13-6-4-9/h1-2,7,9,13H,3-6H2
InChIKey
QBKBZUDYLOTZLF-UHFFFAOYSA-N
Compound name
4-(4-chloro-2-nitrophenyl)sulfanylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.03864 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.04592 153.0
[M+Na]+ 295.02786 166.4
[M+NH4]+ 290.07246 162.1
[M+K]+ 311.00180 159.8
[M-H]- 271.03136 157.9
[M+Na-2H]- 293.01331 159.7
[M]+ 272.03809 156.9
[M]- 272.03919 156.9
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.