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]+	217.085916	144.8
[M+Na]+	239.067858	154.0
[M-H]-	215.071364	152.8
[M+NH4]+	234.112463	164.0
[M+K]+	255.041798	152.5
[M+H-H2O]+	199.075900	138.6
[M+HCOO]-	261.076841	170.3
[M+CH3COO]-	275.092491	186.4
[M+Na-2H]-	237.053306	150.5
[M]+	216.07809142	149.4
[M]-	216.07918858	149.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe