CID 7016460

1-(4-bromophenyl)piperidine

Structural Information

Molecular Formula
C11H14BrN
SMILES
C1CCN(CC1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C11H14BrN/c12-10-4-6-11(7-5-10)13-8-2-1-3-9-13/h4-7H,1-3,8-9H2
InChIKey
OACWQRGNHICZFD-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

250
Patents

239.03096 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.03824 146.6
[M+Na]+ 262.02018 155.5
[M-H]- 238.02368 153.7
[M+NH4]+ 257.06478 166.3
[M+K]+ 277.99412 144.5
[M+H-H2O]+ 222.02822 145.8
[M+HCOO]- 284.02916 164.2
[M+CH3COO]- 298.04481 160.3
[M+Na-2H]- 260.00563 153.5
[M]+ 239.03041 160.3
[M]- 239.03151 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

literature stripe

Patent stripe

patents stripe