CID 1991436

25141-45-1

Structural Information

Molecular Formula

C₁₅H₁₄O₃

SMILES

C1=CC=C(C=C1)CC2=CC=CC=C2OCC(=O)O

InChI

InChI=1S/C15H14O3/c16-15(17)11-18-14-9-5-4-8-13(14)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,16,17)

InChIKey

FNKKMCAPBFWQTQ-UHFFFAOYSA-N

Compound name

2-(2-benzylphenoxy)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 13
Patents: 242.0943 Da
Monoisotopic Mass: 3.7
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]+	243.10158	154.6
[M+Na]+	265.08352	168.5
[M+NH4]+	260.12812	162.6
[M+K]+	281.05746	161.2
[M-H]-	241.08702	158.3
[M+Na-2H]-	263.06897	163.4
[M]+	242.09375	157.6
[M]-	242.09485	157.6

Literature stripe

literature stripe

Patent stripe

patents stripe