CID 201640

3-(2-furyl)benzaldehyde

Structural Information

Molecular Formula

C₁₁H₈O₂

SMILES

C1=CC(=CC(=C1)C2=CC=CO2)C=O

InChI

InChI=1S/C11H8O2/c12-8-9-3-1-4-10(7-9)11-5-2-6-13-11/h1-8H

InChIKey

BTAANNDAXIYWAN-UHFFFAOYSA-N

Compound name

3-(furan-2-yl)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 109
Patents: 172.05243 Da
Monoisotopic Mass: 2.1
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]+	173.05971	132.5
[M+Na]+	195.04165	141.7
[M-H]-	171.04515	140.5
[M+NH4]+	190.08625	153.3
[M+K]+	211.01559	140.2
[M+H-H2O]+	155.04969	126.7
[M+HCOO]-	217.05063	158.5
[M+CH3COO]-	231.06628	177.2
[M+Na-2H]-	193.02710	140.0
[M]+	172.05188	134.5
[M]-	172.05298	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe