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: 94
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	133.9
[M+Na]+	195.04165	148.4
[M+NH4]+	190.08625	143.3
[M+K]+	211.01559	143.1
[M-H]-	171.04515	139.4
[M+Na-2H]-	193.02710	142.9
[M]+	172.05188	137.6
[M]-	172.05298	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe