CID 5115231

2-(2-bromophenyl)piperidine

Structural Information

Molecular Formula
C11H14BrN
SMILES
C1CCNC(C1)C2=CC=CC=C2Br
InChI
InChI=1S/C11H14BrN/c12-10-6-2-1-5-9(10)11-7-3-4-8-13-11/h1-2,5-6,11,13H,3-4,7-8H2
InChIKey
BZQYYLIFPSPOKO-UHFFFAOYSA-N
Compound name
2-(2-bromophenyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

239.03096 Da
Monoisotopic Mass

2.9
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

No literature data available for this compound.

Patent stripe

patents stripe