CID 14141159

39891-04-8

Structural Information

Molecular Formula

SMILES

C1=C(C=NC=C1F)C=O

InChI

InChI=1S/C6H4FNO/c7-6-1-5(4-9)2-8-3-6/h1-4H

InChIKey

FEPXZFGQVDIXMZ-UHFFFAOYSA-N

Compound name

5-fluoropyridine-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 590
Patents: 125.027695 Da
Monoisotopic Mass: 0.4
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]+	126.03497	121.3
[M+Na]+	148.01691	134.6
[M+NH4]+	143.06152	129.5
[M+K]+	163.99085	128.1
[M-H]-	124.02042	121.7
[M+Na-2H]-	146.00236	128.8
[M]+	125.02715	123.2
[M]-	125.02824	123.2

Literature stripe

literature stripe

Patent stripe

patents stripe