CID 10729187

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

Structural Information

Molecular Formula
C12H15F2N
SMILES
C1CNCCC1CC2=CC(=C(C=C2)F)F
InChI
InChI=1S/C12H15F2N/c13-11-2-1-10(8-12(11)14)7-9-3-5-15-6-4-9/h1-2,8-9,15H,3-7H2
InChIKey
GTIPRWLJTBFXAB-UHFFFAOYSA-N
Compound name
4-[(3,4-difluorophenyl)methyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

211.11725 Da
Monoisotopic Mass

2.7
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

patents stripe