CID 12645566

4-(4-bromophenoxy)piperidine

Structural Information

Molecular Formula
C11H14BrNO
SMILES
C1CNCCC1OC2=CC=C(C=C2)Br
InChI
InChI=1S/C11H14BrNO/c12-9-1-3-10(4-2-9)14-11-5-7-13-8-6-11/h1-4,11,13H,5-8H2
InChIKey
KELAIWLMVFYRJD-UHFFFAOYSA-N
Compound name
4-(4-bromophenoxy)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

154
Patents

255.02588 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.033156 150.3
[M+Na]+ 278.015098 158.6
[M-H]- 254.018604 155.9
[M+NH4]+ 273.059703 168.6
[M+K]+ 293.989038 147.1
[M+H-H2O]+ 238.023140 149.4
[M+HCOO]- 300.024081 166.6
[M+CH3COO]- 314.039731 187.4
[M+Na-2H]- 276.000546 156.6
[M]+ 255.02533142 163.5
[M]- 255.02642858 163.5
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