CID 563696

4-benzyloxyphenoxyacetic acid

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: 120
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	157.7
[M+Na]+	281.07842	171.1
[M+NH4]+	276.12302	165.1
[M+K]+	297.05236	164.4
[M-H]-	257.08192	160.9
[M+Na-2H]-	279.06387	166.1
[M]+	258.08865	160.4
[M]-	258.08975	160.4

Literature stripe

literature stripe

Patent stripe

patents stripe