CID 47455

Triclopyr-butotyl

Structural Information

Molecular Formula

C₁₃H₁₆Cl₃NO₄

SMILES

CCCCOCCOC(=O)COC1=NC(=C(C=C1Cl)Cl)Cl

InChI

InChI=1S/C13H16Cl3NO4/c1-2-3-4-19-5-6-20-11(18)8-21-13-10(15)7-9(14)12(16)17-13/h7H,2-6,8H2,1H3

InChIKey

IVDRCZNHVGQBHZ-UHFFFAOYSA-N

Compound name

2-butoxyethyl 2-(3,5,6-trichloropyridin-2-yl)oxyacetate

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 9
References: 3927
Patents: 355.0145 Da
Monoisotopic Mass: 4.4
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]+	356.02178	169.7
[M+Na]+	378.00372	178.9
[M-H]-	354.00722	170.4
[M+NH4]+	373.04832	183.4
[M+K]+	393.97766	174.1
[M+H-H2O]+	338.01176	164.7
[M+HCOO]-	400.01270	176.8
[M+CH3COO]-	414.02835	209.6
[M+Na-2H]-	375.98917	170.9
[M]+	355.01395	179.8
[M]-	355.01505	179.8

Literature stripe

literature stripe

Patent stripe

patents stripe