CID 49761201

3,5-difluoropiperidine hydrochloride

Structural Information

Molecular Formula
C5H9F2N
SMILES
C1C(CNCC1F)F
InChI
InChI=1S/C5H9F2N/c6-4-1-5(7)3-8-2-4/h4-5,8H,1-3H2
InChIKey
FXAZVBOIOYBLII-UHFFFAOYSA-N
Compound name
3,5-difluoropiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

121.070305 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.07758 121.7
[M+Na]+ 144.05952 128.2
[M-H]- 120.06303 119.4
[M+NH4]+ 139.10413 142.0
[M+K]+ 160.03346 126.3
[M+H-H2O]+ 104.06756 114.4
[M+HCOO]- 166.06851 138.2
[M+CH3COO]- 180.08416 166.9
[M+Na-2H]- 142.04497 126.6
[M]+ 121.06976 112.4
[M]- 121.07085 112.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe