CID 14296366

116241-60-2

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C9H12FN/c1-9(2,3)7-4-5-11-8(10)6-7/h4-6H,1-3H3

InChIKey

MRAIDGBWVXPHAL-UHFFFAOYSA-N

Compound name

4-tert-butyl-2-fluoropyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 133
Patents: 153.09538 Da
Monoisotopic Mass: 3.0
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]+	154.10266	130.6
[M+Na]+	176.08460	139.7
[M-H]-	152.08810	132.1
[M+NH4]+	171.12920	151.1
[M+K]+	192.05854	137.8
[M+H-H2O]+	136.09264	124.2
[M+HCOO]-	198.09358	151.4
[M+CH3COO]-	212.10923	177.6
[M+Na-2H]-	174.07005	138.4
[M]+	153.09483	129.8
[M]-	153.09593	129.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe