CID 12919292

Dtxsid001028691

Structural Information

Molecular Formula

C₁₄H₁₂O₅

SMILES

C1=CC(=CC=C1O)OC2=CC=C(C=C2)OCC(=O)O

InChI

InChI=1S/C14H12O5/c15-10-1-3-12(4-2-10)19-13-7-5-11(6-8-13)18-9-14(16)17/h1-8,15H,9H2,(H,16,17)

InChIKey

AUHGJJXELNWXJW-UHFFFAOYSA-N

Compound name

2-[4-(4-hydroxyphenoxy)phenoxy]acetic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 0
Patents: 260.06848 Da
Monoisotopic Mass: 2.2
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]+	261.075756	154.8
[M+Na]+	283.057698	161.9
[M-H]-	259.061204	159.2
[M+NH4]+	278.102303	169.8
[M+K]+	299.031638	159.2
[M+H-H2O]+	243.065740	147.5
[M+HCOO]-	305.066681	176.4
[M+CH3COO]-	319.082331	189.8
[M+Na-2H]-	281.043146	159.4
[M]+	260.06793142	156.8
[M]-	260.06902858	156.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.