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	150.8
[M+Na]+	246.09008	162.3
[M+NH4]+	241.13468	158.4
[M+K]+	262.06402	155.8
[M-H]-	222.09358	152.6
[M+Na-2H]-	244.07553	157.4
[M]+	223.10031	152.7
[M]-	223.10141	152.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe