CID 13666599

2,3,5-trichloro-6-ethoxypyridine

Structural Information

Molecular Formula

C₇H₆Cl₃NO

SMILES

CCOC1=NC(=C(C=C1Cl)Cl)Cl

InChI

InChI=1S/C7H6Cl3NO/c1-2-12-7-5(9)3-4(8)6(10)11-7/h3H,2H2,1H3

InChIKey

YTTTYQKAWQIMOR-UHFFFAOYSA-N

Compound name

2,3,5-trichloro-6-ethoxypyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 224.95149 Da
Monoisotopic Mass: 3.7
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]+	225.95877	140.2
[M+Na]+	247.94071	156.2
[M+NH4]+	242.98531	149.3
[M+K]+	263.91465	147.9
[M-H]-	223.94421	141.9
[M+Na-2H]-	245.92616	147.7
[M]+	224.95094	143.9
[M]-	224.95204	143.9

Literature stripe

literature stripe

Patent stripe

patents stripe