CID 1482

1928-37-6

Structural Information

Molecular Formula

C₉H₇Cl₃O₃

SMILES

COC(=O)COC1=CC(=C(C=C1Cl)Cl)Cl

InChI

InChI=1S/C9H7Cl3O3/c1-14-9(13)4-15-8-3-6(11)5(10)2-7(8)12/h2-3H,4H2,1H3

InChIKey

JUCNGUOYQGHBJC-UHFFFAOYSA-N

Compound name

methyl 2-(2,4,5-trichlorophenoxy)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 541
Patents: 267.94608 Da
Monoisotopic Mass: 3.6
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]+	268.95336	148.9
[M+Na]+	290.93530	163.5
[M+NH4]+	285.97990	157.0
[M+K]+	306.90924	156.3
[M-H]-	266.93880	149.9
[M+Na-2H]-	288.92075	155.0
[M]+	267.94553	152.1
[M]-	267.94663	152.1

Literature stripe

literature stripe

Patent stripe

patents stripe