CID 39870

51028-83-2

Structural Information

Molecular Formula

C₁₅H₁₄O₃

SMILES

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

InChI

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

InChIKey

RNTIGDWQNJQAKZ-UHFFFAOYSA-N

Compound name

2-(3-methoxy-5-phenylphenyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 242.0943 Da
Monoisotopic Mass: 3.0
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	154.1
[M+Na]+	265.08352	168.4
[M+NH4]+	260.12812	162.2
[M+K]+	281.05746	161.4
[M-H]-	241.08702	157.9
[M+Na-2H]-	263.06897	162.8
[M]+	242.09375	157.3
[M]-	242.09485	157.3

Literature stripe

literature stripe

Patent stripe

patents stripe