CID 63132459

2287273-20-3

Structural Information

Molecular Formula
C13H15BrFNO2
SMILES
C1CC(CNC1)(CC2=C(C=C(C=C2)Br)F)C(=O)O
InChI
InChI=1S/C13H15BrFNO2/c14-10-3-2-9(11(15)6-10)7-13(12(17)18)4-1-5-16-8-13/h2-3,6,16H,1,4-5,7-8H2,(H,17,18)
InChIKey
WUPLRINFYBLURS-UHFFFAOYSA-N
Compound name
3-[(4-bromo-2-fluorophenyl)methyl]piperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.027 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.03428 167.0
[M+Na]+ 338.01622 168.2
[M+NH4]+ 333.06082 171.3
[M+K]+ 353.99016 166.8
[M-H]- 314.01972 166.2
[M+Na-2H]- 336.00167 169.7
[M]+ 315.02645 165.7
[M]- 315.02755 165.7
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.