CID 230684

1-(4-bromo-2-nitrophenyl)piperidine

Structural Information

Molecular Formula
C11H13BrN2O2
SMILES
C1CCN(CC1)C2=C(C=C(C=C2)Br)[N+](=O)[O-]
InChI
InChI=1S/C11H13BrN2O2/c12-9-4-5-10(11(8-9)14(15)16)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7H2
InChIKey
MOAYDALUWCNSSG-UHFFFAOYSA-N
Compound name
1-(4-bromo-2-nitrophenyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

284.01605 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.02333 157.0
[M+Na]+ 307.00527 165.1
[M-H]- 283.00877 164.2
[M+NH4]+ 302.04987 174.1
[M+K]+ 322.97921 150.4
[M+H-H2O]+ 267.01331 159.6
[M+HCOO]- 329.01425 175.5
[M+CH3COO]- 343.02990 190.4
[M+Na-2H]- 304.99072 164.0
[M]+ 284.01550 170.6
[M]- 284.01660 170.6
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