CID 17349

2,4,5-t butoxyethyl ester

Structural Information

Molecular Formula

C₁₄H₁₇Cl₃O₄

SMILES

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

InChI

InChI=1S/C14H17Cl3O4/c1-2-3-4-19-5-6-20-14(18)9-21-13-8-11(16)10(15)7-12(13)17/h7-8H,2-6,9H2,1H3

InChIKey

GLDWASBMYWLQGG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 419
Patents: 354.01926 Da
Monoisotopic Mass: 4.7
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]+	355.02654	172.8
[M+Na]+	377.00848	186.0
[M+NH4]+	372.05308	179.6
[M+K]+	392.98242	178.2
[M-H]-	353.01198	173.2
[M+Na-2H]-	374.99393	177.2
[M]+	354.01871	175.6
[M]-	354.01981	175.6

Literature stripe

literature stripe

Patent stripe

patents stripe