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

159
Patents

255.02588 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.03316 150.3
[M+Na]+ 278.01510 158.6
[M-H]- 254.01860 155.9
[M+NH4]+ 273.05970 168.6
[M+K]+ 293.98904 147.1
[M+H-H2O]+ 238.02314 149.4
[M+HCOO]- 300.02408 166.6
[M+CH3COO]- 314.03973 187.4
[M+Na-2H]- 276.00055 156.6
[M]+ 255.02533 163.5
[M]- 255.02643 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