CID 84649299

3-(2,2-difluoroethyl)piperidine hydrochloride

Structural Information

Molecular Formula
C7H13F2N
SMILES
C1CC(CNC1)CC(F)F
InChI
InChI=1S/C7H13F2N/c8-7(9)4-6-2-1-3-10-5-6/h6-7,10H,1-5H2
InChIKey
BOVRMIHPWXWIGO-UHFFFAOYSA-N
Compound name
3-(2,2-difluoroethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

149.10161 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.108886 131.5
[M+Na]+ 172.090828 136.0
[M-H]- 148.094334 128.6
[M+NH4]+ 167.135433 150.2
[M+K]+ 188.064768 133.9
[M+H-H2O]+ 132.098870 123.6
[M+HCOO]- 194.099811 146.3
[M+CH3COO]- 208.115461 172.7
[M+Na-2H]- 170.076276 134.8
[M]+ 149.10106142 121.9
[M]- 149.10215858 121.9
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.