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

4
Patents

149.10161 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.10889 131.5
[M+Na]+ 172.09083 136.0
[M-H]- 148.09433 128.6
[M+NH4]+ 167.13543 150.2
[M+K]+ 188.06477 133.9
[M+H-H2O]+ 132.09887 123.6
[M+HCOO]- 194.09981 146.3
[M+CH3COO]- 208.11546 172.7
[M+Na-2H]- 170.07628 134.8
[M]+ 149.10106 121.9
[M]- 149.10216 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.