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

13
Patents

239.03096 Da
Monoisotopic Mass

3.6
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

No literature data available for this compound.

Patent stripe

patents stripe