CID 46835593

Tert-butyl 6-fluoropyridine-2-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₂FNO₂

SMILES

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

InChI

InChI=1S/C10H12FNO2/c1-10(2,3)14-9(13)7-5-4-6-8(11)12-7/h4-6H,1-3H3

InChIKey

HUSBMKLNFMAIMJ-UHFFFAOYSA-N

Compound name

tert-butyl 6-fluoropyridine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 197.0852 Da
Monoisotopic Mass: 2.5
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]+	198.09248	143.1
[M+Na]+	220.07442	154.4
[M+NH4]+	215.11902	149.7
[M+K]+	236.04836	149.6
[M-H]-	196.07792	142.0
[M+Na-2H]-	218.05987	148.6
[M]+	197.08465	144.2
[M]-	197.08575	144.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe