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]+ 120.061936 119.5
[M+Na]+ 142.043878 127.1
[M-H]- 118.047384 117.7
[M+NH4]+ 137.088483 141.7
[M+K]+ 158.017818 125.2
[M+H-H2O]+ 102.051920 112.8
[M+HCOO]- 164.052861 137.6
[M+CH3COO]- 178.068511 165.0
[M+Na-2H]- 140.029326 127.3
[M]+ 119.05411142 111.7
[M]- 119.05520858 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