CID 217834

3-(4-chlorophenoxy)-2-hydroxypropyl (2-hydroxyphenoxy)acetate

Structural Information

Molecular Formula

C₁₇H₁₇ClO₆

SMILES

C1=CC=C(C(=C1)O)OCC(=O)OCC(COC2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C17H17ClO6/c18-12-5-7-14(8-6-12)22-9-13(19)10-24-17(21)11-23-16-4-2-1-3-15(16)20/h1-8,13,19-20H,9-11H2

InChIKey

DIVUTHOZPCQXID-UHFFFAOYSA-N

Compound name

[3-(4-chlorophenoxy)-2-hydroxypropyl] 2-(2-hydroxyphenoxy)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 352.07138 Da
Monoisotopic Mass: 3.1
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]+	353.078656	175.5
[M+Na]+	375.060598	181.7
[M-H]-	351.064104	179.4
[M+NH4]+	370.105203	187.6
[M+K]+	391.034538	178.0
[M+H-H2O]+	335.068640	168.5
[M+HCOO]-	397.069581	190.9
[M+CH3COO]-	411.085231	204.8
[M+Na-2H]-	373.046046	177.3
[M]+	352.07083142	181.7
[M]-	352.07192858	181.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.