CID 53435940

55934-03-7

Structural Information

Molecular Formula

C₆H₃Cl₃N₂O₂

SMILES

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

InChI

InChI=1S/C6H3Cl3N2O2/c7-1-2(8)4(6(12)13)11-5(10)3(1)9/h(H2,10,11)(H,12,13)

InChIKey

ATHJTJOXOQJKEC-UHFFFAOYSA-N

Compound name

6-amino-3,4,5-trichloropyridine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 239.92601 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]+	240.93329	142.7
[M+Na]+	262.91523	156.5
[M+NH4]+	257.95983	150.1
[M+K]+	278.88917	150.7
[M-H]-	238.91873	143.1
[M+Na-2H]-	260.90068	147.9
[M]+	239.92546	145.5
[M]-	239.92656	145.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe