CID 24212576

1-(5-bromo-2-fluorobenzoyl)-4-methylpiperidine

Structural Information

Molecular Formula
C13H15BrFNO
SMILES
CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)Br)F
InChI
InChI=1S/C13H15BrFNO/c1-9-4-6-16(7-5-9)13(17)11-8-10(14)2-3-12(11)15/h2-3,8-9H,4-7H2,1H3
InChIKey
ZLVNFESVIKEEHM-UHFFFAOYSA-N
Compound name
(5-bromo-2-fluorophenyl)-(4-methylpiperidin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.0321 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.03938 161.2
[M+Na]+ 322.02132 170.9
[M-H]- 298.02482 167.4
[M+NH4]+ 317.06592 178.9
[M+K]+ 337.99526 159.3
[M+H-H2O]+ 282.02936 159.3
[M+HCOO]- 344.03030 176.4
[M+CH3COO]- 358.04595 199.5
[M+Na-2H]- 320.00677 163.8
[M]+ 299.03155 175.2
[M]- 299.03265 175.2
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.