CID 64458001

3-(3,4-difluorophenyl)piperidine

Structural Information

Molecular Formula
C11H13F2N
SMILES
C1CC(CNC1)C2=CC(=C(C=C2)F)F
InChI
InChI=1S/C11H13F2N/c12-10-4-3-8(6-11(10)13)9-2-1-5-14-7-9/h3-4,6,9,14H,1-2,5,7H2
InChIKey
XFGMGVZQXXIXGX-UHFFFAOYSA-N
Compound name
3-(3,4-difluorophenyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

197.10161 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.108886 141.4
[M+Na]+ 220.090828 147.8
[M-H]- 196.094334 142.2
[M+NH4]+ 215.135433 158.5
[M+K]+ 236.064768 143.3
[M+H-H2O]+ 180.098870 132.4
[M+HCOO]- 242.099811 157.5
[M+CH3COO]- 256.115461 181.7
[M+Na-2H]- 218.076276 145.0
[M]+ 197.10106142 132.3
[M]- 197.10215858 132.3
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