CID 855023

52938-99-5

Structural Information

Molecular Formula

C₁₂H₁₀O₄

SMILES

COC1=CC=C(C=C1)C2=CC=C(O2)C(=O)O

InChI

InChI=1S/C12H10O4/c1-15-9-4-2-8(3-5-9)10-6-7-11(16-10)12(13)14/h2-7H,1H3,(H,13,14)

InChIKey

YEBLYHKPTQJGEC-UHFFFAOYSA-N

Compound name

5-(4-methoxyphenyl)furan-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
Patents: 218.0579 Da
Monoisotopic Mass: 2.5
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]+	219.06518	145.1
[M+Na]+	241.04712	157.8
[M+NH4]+	236.09172	152.6
[M+K]+	257.02106	154.8
[M-H]-	217.05062	148.8
[M+Na-2H]-	239.03257	151.6
[M]+	218.05735	147.9
[M]-	218.05845	147.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe