CID 62801580

2-(2,5-difluorobenzyl)piperidine

Structural Information

Molecular Formula
C12H15F2N
SMILES
C1CCNC(C1)CC2=C(C=CC(=C2)F)F
InChI
InChI=1S/C12H15F2N/c13-10-4-5-12(14)9(7-10)8-11-3-1-2-6-15-11/h4-5,7,11,15H,1-3,6,8H2
InChIKey
BRXLXFUVSAPNOZ-UHFFFAOYSA-N
Compound name
2-[(2,5-difluorophenyl)methyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.11725 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.12453 146.0
[M+Na]+ 234.10647 152.0
[M-H]- 210.10997 146.6
[M+NH4]+ 229.15107 162.5
[M+K]+ 250.08041 147.2
[M+H-H2O]+ 194.11451 136.8
[M+HCOO]- 256.11545 161.8
[M+CH3COO]- 270.13110 184.7
[M+Na-2H]- 232.09192 149.0
[M]+ 211.11670 137.2
[M]- 211.11780 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

No patent data available for this compound.