CID 197748

1978-61-6

Structural Information

Molecular Formula

C₁₁H₁₂FN

SMILES

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

InChI

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

InChIKey

MVXXCFMHLWEWHY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 567
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

literature stripe

Patent stripe

patents stripe