CID 49831821

5-formylbenzofuran-2-carbonitrile

Structural Information

Molecular Formula

C₁₀H₅NO₂

SMILES

C1=CC2=C(C=C1C=O)C=C(O2)C#N

InChI

InChI=1S/C10H5NO2/c11-5-9-4-8-3-7(6-12)1-2-10(8)13-9/h1-4,6H

InChIKey

WSXIBCRETBRQRW-UHFFFAOYSA-N

Compound name

5-formyl-1-benzofuran-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 171.03203 Da
Monoisotopic Mass: 1.8
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]+	172.03931	134.8
[M+Na]+	194.02125	148.6
[M+NH4]+	189.06585	140.3
[M+K]+	209.99519	140.5
[M-H]-	170.02475	130.8
[M+Na-2H]-	192.00670	138.8
[M]+	171.03148	134.9
[M]-	171.03258	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe