CID 2782811

1-benzyl-4,4-difluoropiperidine

Structural Information

Molecular Formula
C12H15F2N
SMILES
C1CN(CCC1(F)F)CC2=CC=CC=C2
InChI
InChI=1S/C12H15F2N/c13-12(14)6-8-15(9-7-12)10-11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKey
ZOHRARQBWMKEMZ-UHFFFAOYSA-N
Compound name
1-benzyl-4,4-difluoropiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
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 145.8
[M+Na]+ 234.10647 152.2
[M-H]- 210.10997 147.8
[M+NH4]+ 229.15107 164.8
[M+K]+ 250.08041 148.7
[M+H-H2O]+ 194.11451 136.5
[M+HCOO]- 256.11545 163.1
[M+CH3COO]- 270.13110 185.8
[M+Na-2H]- 232.09192 150.9
[M]+ 211.11670 138.8
[M]- 211.11780 138.8
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