CID 49760796

4-(4-fluorophenyl)piperidine-4-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C12H14FNO2
SMILES
C1CNCCC1(C2=CC=C(C=C2)F)C(=O)O
InChI
InChI=1S/C12H14FNO2/c13-10-3-1-9(2-4-10)12(11(15)16)5-7-14-8-6-12/h1-4,14H,5-8H2,(H,15,16)
InChIKey
QFHFMHREPUBQBP-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

223.10086 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.10814 149.6
[M+Na]+ 246.09008 155.0
[M-H]- 222.09358 150.3
[M+NH4]+ 241.13468 166.5
[M+K]+ 262.06402 151.1
[M+H-H2O]+ 206.09812 141.9
[M+HCOO]- 268.09906 164.6
[M+CH3COO]- 282.11471 182.0
[M+Na-2H]- 244.07553 153.3
[M]+ 223.10031 141.6
[M]- 223.10141 141.6
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