CID 13231828

1-(2-bromophenyl)piperidine

Structural Information

Molecular Formula
C11H14BrN
SMILES
C1CCN(CC1)C2=CC=CC=C2Br
InChI
InChI=1S/C11H14BrN/c12-10-6-2-3-7-11(10)13-8-4-1-5-9-13/h2-3,6-7H,1,4-5,8-9H2
InChIKey
ULDSFDQNVQGLCC-UHFFFAOYSA-N
Compound name
1-(2-bromophenyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

239.03096 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.038236 146.6
[M+Na]+ 262.020178 155.5
[M-H]- 238.023684 153.7
[M+NH4]+ 257.064783 166.3
[M+K]+ 277.994118 144.5
[M+H-H2O]+ 222.028220 145.8
[M+HCOO]- 284.029161 164.2
[M+CH3COO]- 298.044811 160.3
[M+Na-2H]- 260.005626 153.5
[M]+ 239.03041142 160.3
[M]- 239.03150858 160.3
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