CID 15965

Picloram

Structural Information

Molecular Formula

C₆H₃Cl₃N₂O₂

SMILES

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

InChI

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

InChIKey

NQQVFXUMIDALNH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 180
References: 68326
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	140.4
[M+Na]+	262.91523	152.1
[M-H]-	238.91873	140.4
[M+NH4]+	257.95983	157.4
[M+K]+	278.88917	146.5
[M+H-H2O]+	222.92327	137.5
[M+HCOO]-	284.92421	148.1
[M+CH3COO]-	298.93986	189.5
[M+Na-2H]-	260.90068	142.7
[M]+	239.92546	142.1
[M]-	239.92656	142.1

Literature stripe

literature stripe

Patent stripe

patents stripe