CID 676444

35592-96-2

Structural Information

Molecular Formula

C₇H₃Cl₄NO₂

SMILES

COC(=O)C1=NC(=C(C(=C1Cl)Cl)Cl)Cl

InChI

InChI=1S/C7H3Cl4NO2/c1-14-7(13)5-3(9)2(8)4(10)6(11)12-5/h1H3

InChIKey

RYIFDLNTADZCRH-UHFFFAOYSA-N

Compound name

methyl 3,4,5,6-tetrachloropyridine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 21
Patents: 272.89178 Da
Monoisotopic Mass: 3.9
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]+	273.899056	144.7
[M+Na]+	295.880998	156.5
[M-H]-	271.884504	144.7
[M+NH4]+	290.925603	161.2
[M+K]+	311.854938	151.7
[M+H-H2O]+	255.889040	141.8
[M+HCOO]-	317.889981	147.4
[M+CH3COO]-	331.905631	195.9
[M+Na-2H]-	293.866446	146.5
[M]+	272.89123142	148.9
[M]-	272.89232858	148.9

Literature stripe

literature stripe

Patent stripe

patents stripe