CID 11389726

80120-00-9

Structural Information

Molecular Formula

C₁₁H₁₂FN

SMILES

C1CNCC=C1C2=CC(=CC=C2)F

InChI

InChI=1S/C11H12FN/c12-11-3-1-2-10(8-11)9-4-6-13-7-5-9/h1-4,8,13H,5-7H2

InChIKey

ILCNYFXNNQYRJP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 97
Patents: 177.09538 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	178.10266	136.6
[M+Na]+	200.08460	143.1
[M-H]-	176.08810	138.8
[M+NH4]+	195.12920	154.4
[M+K]+	216.05854	138.8
[M+H-H2O]+	160.09264	128.5
[M+HCOO]-	222.09358	155.3
[M+CH3COO]-	236.10923	148.5
[M+Na-2H]-	198.07005	142.7
[M]+	177.09483	129.7
[M]-	177.09593	129.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe