CID 90101462

1-benzyl-3,3-difluoropiperidine-4-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C13H15F2NO2
SMILES
C1CN(CC(C1C(=O)O)(F)F)CC2=CC=CC=C2
InChI
InChI=1S/C13H15F2NO2/c14-13(15)9-16(7-6-11(13)12(17)18)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,17,18)
InChIKey
OFAYEFASYBFVIA-UHFFFAOYSA-N
Compound name
1-benzyl-3,3-difluoropiperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

255.10709 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.114366 155.9
[M+Na]+ 278.096308 162.3
[M-H]- 254.099814 156.8
[M+NH4]+ 273.140913 172.4
[M+K]+ 294.070248 158.6
[M+H-H2O]+ 238.104350 146.9
[M+HCOO]- 300.105291 170.9
[M+CH3COO]- 314.120941 191.4
[M+Na-2H]- 276.081756 158.3
[M]+ 255.10654142 149.4
[M]- 255.10763858 149.4
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

patents stripe