CID 131015089

1289215-63-9

Structural Information

Molecular Formula

SMILES

C1=C(C(=C(C=N1)I)C=O)F

InChI

InChI=1S/C6H3FINO/c7-5-1-9-2-6(8)4(5)3-10/h1-3H

InChIKey

XXUINTSAWKNPCU-UHFFFAOYSA-N

Compound name

3-fluoro-5-iodopyridine-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 250.92435 Da
Monoisotopic Mass: 1.1
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]+	251.93163	128.6
[M+Na]+	273.91357	132.1
[M-H]-	249.91707	123.4
[M+NH4]+	268.95817	144.2
[M+K]+	289.88751	135.9
[M+H-H2O]+	233.92161	118.5
[M+HCOO]-	295.92255	147.0
[M+CH3COO]-	309.93820	182.8
[M+Na-2H]-	271.89902	124.3
[M]+	250.92380	126.0
[M]-	250.92490	126.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.