CID 41428

Triclopyr

Structural Information

Molecular Formula

C₇H₄Cl₃NO₃

SMILES

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

InChI

InChI=1S/C7H4Cl3NO3/c8-3-1-4(9)7(11-6(3)10)14-2-5(12)13/h1H,2H2,(H,12,13)

InChIKey

REEQLXCGVXDJSQ-UHFFFAOYSA-N

Compound name

2-(3,5,6-trichloropyridin-2-yl)oxyacetic acid

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 120
References: 29808
Patents: 254.92567 Da
Monoisotopic Mass: 3.0
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]+	255.93295	140.6
[M+Na]+	277.91489	151.8
[M-H]-	253.91839	140.8
[M+NH4]+	272.95949	157.4
[M+K]+	293.88883	146.9
[M+H-H2O]+	237.92293	137.3
[M+HCOO]-	299.92387	147.9
[M+CH3COO]-	313.93952	189.0
[M+Na-2H]-	275.90034	144.2
[M]+	254.92512	145.4
[M]-	254.92622	145.4

Literature stripe

literature stripe

Patent stripe

patents stripe