CID 211891

Isopropyl 5-fluoronicotinate

Structural Information

Molecular Formula

C₉H₁₀FNO₂

SMILES

CC(C)OC(=O)C1=CC(=CN=C1)F

InChI

InChI=1S/C9H10FNO2/c1-6(2)13-9(12)7-3-8(10)5-11-4-7/h3-6H,1-2H3

InChIKey

CHRVVWHJGOIAFG-UHFFFAOYSA-N

Compound name

propan-2-yl 5-fluoropyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 183.06955 Da
Monoisotopic Mass: 1.6
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]+	184.07683	135.9
[M+Na]+	206.05877	144.1
[M-H]-	182.06227	137.1
[M+NH4]+	201.10337	154.6
[M+K]+	222.03271	143.1
[M+H-H2O]+	166.06681	128.6
[M+HCOO]-	228.06775	156.8
[M+CH3COO]-	242.08340	182.0
[M+Na-2H]-	204.04422	140.5
[M]+	183.06900	136.4
[M]-	183.07010	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe