CID 153920534

3,3-difluoro-1,2,3,6-tetrahydropyridine hydrochloride

Structural Information

Molecular Formula
C5H7F2N
SMILES
C1C=CC(CN1)(F)F
InChI
InChI=1S/C5H7F2N/c6-5(7)2-1-3-8-4-5/h1-2,8H,3-4H2
InChIKey
NCTLRTKPVVJVCP-UHFFFAOYSA-N
Compound name
3,3-difluoro-2,6-dihydro-1H-pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

119.05466 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.06194 119.5
[M+Na]+ 142.04388 127.1
[M-H]- 118.04738 117.7
[M+NH4]+ 137.08848 141.7
[M+K]+ 158.01782 125.2
[M+H-H2O]+ 102.05192 112.8
[M+HCOO]- 164.05286 137.6
[M+CH3COO]- 178.06851 165.0
[M+Na-2H]- 140.02933 127.3
[M]+ 119.05411 111.7
[M]- 119.05521 111.7
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