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]+ 196.09323 139.5
[M+Na]+ 218.07517 147.0
[M-H]- 194.07867 140.7
[M+NH4]+ 213.11977 156.8
[M+K]+ 234.04911 142.2
[M+H-H2O]+ 178.08321 130.6
[M+HCOO]- 240.08415 157.1
[M+CH3COO]- 254.09980 151.1
[M+Na-2H]- 216.06062 144.1
[M]+ 195.08540 131.9
[M]- 195.08650 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