CID 28374427

4-(2,6-difluorophenyl)-1,2,3,6-tetrahydropyridine

Structural Information

Molecular Formula
C11H11F2N
SMILES
C1CNCC=C1C2=C(C=CC=C2F)F
InChI
InChI=1S/C11H11F2N/c12-9-2-1-3-10(13)11(9)8-4-6-14-7-5-8/h1-4,14H,5-7H2
InChIKey
PTBWKMXQAMQLOK-UHFFFAOYSA-N
Compound name
4-(2,6-difluorophenyl)-1,2,3,6-tetrahydropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

195.08595 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.093226 139.5
[M+Na]+ 218.075168 147.0
[M-H]- 194.078674 140.7
[M+NH4]+ 213.119773 156.8
[M+K]+ 234.049108 142.2
[M+H-H2O]+ 178.083210 130.6
[M+HCOO]- 240.084151 157.1
[M+CH3COO]- 254.099801 151.1
[M+Na-2H]- 216.060616 144.1
[M]+ 195.08540142 131.9
[M]- 195.08649858 131.9
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

patents stripe