CID 129950431

1240596-47-7

Structural Information

Molecular Formula

C₇H₅Cl₂NO₂

SMILES

COC1=CC(=NC(=C1C=O)Cl)Cl

InChI

InChI=1S/C7H5Cl2NO2/c1-12-5-2-6(8)10-7(9)4(5)3-11/h2-3H,1H3

InChIKey

DUHPANFXCPDMCQ-UHFFFAOYSA-N

Compound name

2,6-dichloro-4-methoxypyridine-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 204.96973 Da
Monoisotopic Mass: 2.2
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]+	205.97701	133.5
[M+Na]+	227.95895	145.7
[M-H]-	203.96245	136.0
[M+NH4]+	223.00355	153.1
[M+K]+	243.93289	141.4
[M+H-H2O]+	187.96699	129.1
[M+HCOO]-	249.96793	148.2
[M+CH3COO]-	263.98358	183.1
[M+Na-2H]-	225.94440	139.6
[M]+	204.96918	139.2
[M]-	204.97028	139.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe