CID 11459293

4-[(3,5-difluorophenyl)methyl]piperidine

Structural Information

Molecular Formula
C12H15F2N
SMILES
C1CNCCC1CC2=CC(=CC(=C2)F)F
InChI
InChI=1S/C12H15F2N/c13-11-6-10(7-12(14)8-11)5-9-1-3-15-4-2-9/h6-9,15H,1-5H2
InChIKey
WWGCSCHVGGTGSM-UHFFFAOYSA-N
Compound name
4-[(3,5-difluorophenyl)methyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

211.11725 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.124526 146.0
[M+Na]+ 234.106468 152.0
[M-H]- 210.109974 146.6
[M+NH4]+ 229.151073 162.5
[M+K]+ 250.080408 147.2
[M+H-H2O]+ 194.114510 136.8
[M+HCOO]- 256.115451 161.8
[M+CH3COO]- 270.131101 184.7
[M+Na-2H]- 232.091916 149.0
[M]+ 211.11670142 137.2
[M]- 211.11779858 137.2
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

patents stripe