CID 20249151

1261269-66-2

Structural Information

Molecular Formula

C₆H₂Cl₃NO

SMILES

C1=C(C(=C(N=C1Cl)Cl)C=O)Cl

InChI

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

InChIKey

RESMQRUOHBZJCA-UHFFFAOYSA-N

Compound name

2,4,6-trichloropyridine-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 105
Patents: 208.9202 Da
Monoisotopic Mass: 2.9
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]+	209.927476	132.6
[M+Na]+	231.909418	145.0
[M-H]-	207.912924	133.8
[M+NH4]+	226.954023	151.9
[M+K]+	247.883358	139.6
[M+H-H2O]+	191.917460	129.1
[M+HCOO]-	253.918401	141.8
[M+CH3COO]-	267.934051	183.9
[M+Na-2H]-	229.894866	138.0
[M]+	208.91965142	136.3
[M]-	208.92074858	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe