CID 2759557

669713-72-8

Structural Information

Molecular Formula

C₁₅H₁₄O₃

SMILES

COC1=CC=CC(=C1)C2=CC=CC(=C2)CC(=O)O

InChI

InChI=1S/C15H14O3/c1-18-14-7-3-6-13(10-14)12-5-2-4-11(8-12)9-15(16)17/h2-8,10H,9H2,1H3,(H,16,17)

InChIKey

QJYWEINWHUVEEN-UHFFFAOYSA-N

Compound name

2-[3-(3-methoxyphenyl)phenyl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 242.0943 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]+	243.10158	153.1
[M+Na]+	265.08352	160.6
[M-H]-	241.08702	158.8
[M+NH4]+	260.12812	169.8
[M+K]+	281.05746	157.2
[M+H-H2O]+	225.09156	145.9
[M+HCOO]-	287.09250	175.5
[M+CH3COO]-	301.10815	190.9
[M+Na-2H]-	263.06897	157.6
[M]+	242.09375	154.4
[M]-	242.09485	154.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe