CID 563696

38559-92-1

Structural Information

Molecular Formula

C₁₅H₁₄O₄

SMILES

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

InChI

InChI=1S/C15H14O4/c16-15(17)11-19-14-8-6-13(7-9-14)18-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,16,17)

InChIKey

VXMSXBVTUNOSLL-UHFFFAOYSA-N

Compound name

2-(4-phenylmethoxyphenoxy)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 122
Patents: 258.0892 Da
Monoisotopic Mass: 3.4
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]+	259.09648	156.6
[M+Na]+	281.07842	163.0
[M-H]-	257.08192	161.8
[M+NH4]+	276.12302	172.2
[M+K]+	297.05236	160.2
[M+H-H2O]+	241.08646	148.9
[M+HCOO]-	303.08740	179.2
[M+CH3COO]-	317.10305	191.8
[M+Na-2H]-	279.06387	161.8
[M]+	258.08865	158.9
[M]-	258.08975	158.9

Literature stripe

literature stripe

Patent stripe

patents stripe