CID 2762979

2,3,5-trichloroisonicotinaldehyde

Structural Information

Molecular Formula

C₆H₂Cl₃NO

SMILES

C1=C(C(=C(C(=N1)Cl)Cl)C=O)Cl

InChI

InChI=1S/C6H2Cl3NO/c7-4-1-10-6(9)5(8)3(4)2-11/h1-2H

InChIKey

RZNIINCSHCFUNN-UHFFFAOYSA-N

Compound name

2,3,5-trichloropyridine-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 75
Patents: 208.9202 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]+	209.92748	132.6
[M+Na]+	231.90942	145.0
[M-H]-	207.91292	133.8
[M+NH4]+	226.95402	151.9
[M+K]+	247.88336	139.6
[M+H-H2O]+	191.91746	129.1
[M+HCOO]-	253.91840	141.8
[M+CH3COO]-	267.93405	183.9
[M+Na-2H]-	229.89487	138.0
[M]+	208.91965	136.3
[M]-	208.92075	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe