CID 218450

1-(o-bromobenzyl)-3-chloropiperidine oxalate

Structural Information

Molecular Formula
C12H15BrClN
SMILES
C1CC(CN(C1)CC2=CC=CC=C2Br)Cl
InChI
InChI=1S/C12H15BrClN/c13-12-6-2-1-4-10(12)8-15-7-3-5-11(14)9-15/h1-2,4,6,11H,3,5,7-9H2
InChIKey
FITIQEAFTHGHJD-UHFFFAOYSA-N
Compound name
1-[(2-bromophenyl)methyl]-3-chloropiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.00763 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.01491 156.2
[M+Na]+ 309.99685 166.6
[M-H]- 286.00035 163.2
[M+NH4]+ 305.04145 175.2
[M+K]+ 325.97079 153.4
[M+H-H2O]+ 270.00489 155.8
[M+HCOO]- 332.00583 169.0
[M+CH3COO]- 346.02148 169.5
[M+Na-2H]- 307.98230 161.5
[M]+ 287.00708 172.4
[M]- 287.00818 172.4
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

No patent data available for this compound.