CID 3085207

Triclopyr-ethyl

Structural Information

Molecular Formula

C₉H₈Cl₃NO₃

SMILES

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

InChI

InChI=1S/C9H8Cl3NO3/c1-2-15-7(14)4-16-9-6(11)3-5(10)8(12)13-9/h3H,2,4H2,1H3

InChIKey

KXAVVWXJUDQGDA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1412
Patents: 282.95697 Da
Monoisotopic Mass: 3.7
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]+	283.96425	149.9
[M+Na]+	305.94619	160.8
[M-H]-	281.94969	151.1
[M+NH4]+	300.99079	166.3
[M+K]+	321.92013	156.2
[M+H-H2O]+	265.95423	145.7
[M+HCOO]-	327.95517	157.9
[M+CH3COO]-	341.97082	196.4
[M+Na-2H]-	303.93164	152.9
[M]+	282.95642	157.1
[M]-	282.95752	157.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe