CID 45050944

5-(2-ethoxyphenyl)-2-furaldehyde

Structural Information

Molecular Formula

C₁₃H₁₂O₃

SMILES

CCOC1=CC=CC=C1C2=CC=C(O2)C=O

InChI

InChI=1S/C13H12O3/c1-2-15-12-6-4-3-5-11(12)13-8-7-10(9-14)16-13/h3-9H,2H2,1H3

InChIKey

RFVPUMSXKRRFNK-UHFFFAOYSA-N

Compound name

5-(2-ethoxyphenyl)furan-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 216.07864 Da
Monoisotopic Mass: 2.8
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]+	217.08592	145.9
[M+Na]+	239.06786	159.8
[M+NH4]+	234.11246	154.3
[M+K]+	255.04180	154.8
[M-H]-	215.07136	150.8
[M+Na-2H]-	237.05331	153.6
[M]+	216.07809	149.3
[M]-	216.07919	149.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe