CID 23436817

5-iodo-pyridine-3-carbaldehyde

Structural Information

Molecular Formula

SMILES

C1=C(C=NC=C1I)C=O

InChI

InChI=1S/C6H4INO/c7-6-1-5(4-9)2-8-3-6/h1-4H

InChIKey

IGCFPWASPXMWNO-UHFFFAOYSA-N

Compound name

5-iodopyridine-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 232.93376 Da
Monoisotopic Mass: 1.0
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]+	233.94104	127.8
[M+Na]+	255.92298	130.3
[M-H]-	231.92648	123.6
[M+NH4]+	250.96758	143.8
[M+K]+	271.89692	134.6
[M+H-H2O]+	215.93102	118.3
[M+HCOO]-	277.93196	147.1
[M+CH3COO]-	291.94761	179.2
[M+Na-2H]-	253.90843	124.5
[M]+	232.93321	125.8
[M]-	232.93431	125.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe