CID 26689

14426-42-7

Structural Information

Molecular Formula

C₁₀H₁₁ClO₃

SMILES

CCOC(=O)COC1=CC=C(C=C1)Cl

InChI

InChI=1S/C10H11ClO3/c1-2-13-10(12)7-14-9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3

InChIKey

QULRDJFRGVHKLN-UHFFFAOYSA-N

Compound name

ethyl 2-(4-chlorophenoxy)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 87
Patents: 214.03967 Da
Monoisotopic Mass: 2.9
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]+	215.04695	141.9
[M+Na]+	237.02889	150.7
[M-H]-	213.03239	145.7
[M+NH4]+	232.07349	161.7
[M+K]+	253.00283	148.1
[M+H-H2O]+	197.03693	137.0
[M+HCOO]-	259.03787	161.6
[M+CH3COO]-	273.05352	184.6
[M+Na-2H]-	235.01434	147.4
[M]+	214.03912	147.6
[M]-	214.04022	147.6

Literature stripe

literature stripe

Patent stripe

patents stripe