CID 211893

Cyclohexyl 5-fluoronicotinate

Structural Information

Molecular Formula

C₁₂H₁₄FNO₂

SMILES

C1CCC(CC1)OC(=O)C2=CC(=CN=C2)F

InChI

InChI=1S/C12H14FNO2/c13-10-6-9(7-14-8-10)12(15)16-11-4-2-1-3-5-11/h6-8,11H,1-5H2

InChIKey

KCYOUPHUBLMKGO-UHFFFAOYSA-N

Compound name

cyclohexyl 5-fluoropyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 223.10086 Da
Monoisotopic Mass: 2.6
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]+	224.10814	148.3
[M+Na]+	246.09008	153.6
[M-H]-	222.09358	151.4
[M+NH4]+	241.13468	164.6
[M+K]+	262.06402	151.2
[M+H-H2O]+	206.09812	139.3
[M+HCOO]-	268.09906	166.3
[M+CH3COO]-	282.11471	186.9
[M+Na-2H]-	244.07553	151.9
[M]+	223.10031	143.6
[M]-	223.10141	143.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe