CID 20364559

4-(2-bromophenyl)piperidine hydrochloride

Structural Information

Molecular Formula
C11H14BrN
SMILES
C1CNCCC1C2=CC=CC=C2Br
InChI
InChI=1S/C11H14BrN/c12-11-4-2-1-3-10(11)9-5-7-13-8-6-9/h1-4,9,13H,5-8H2
InChIKey
HHHAYRLLVYOFNI-UHFFFAOYSA-N
Compound name
4-(2-bromophenyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

239.03096 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.038236 147.5
[M+Na]+ 262.020178 155.9
[M-H]- 238.023684 153.2
[M+NH4]+ 257.064783 166.5
[M+K]+ 277.994118 144.0
[M+H-H2O]+ 222.028220 146.9
[M+HCOO]- 284.029161 163.6
[M+CH3COO]- 298.044811 160.5
[M+Na-2H]- 260.005626 153.9
[M]+ 239.03041142 159.4
[M]- 239.03150858 159.4
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