CID 215270

2-benzofurancarbonitrile, 4-methoxy-

Structural Information

Molecular Formula

C₁₀H₇NO₂

SMILES

COC1=CC=CC2=C1C=C(O2)C#N

InChI

InChI=1S/C10H7NO2/c1-12-9-3-2-4-10-8(9)5-7(6-11)13-10/h2-5H,1H3

InChIKey

BIHPNWHPANRXIG-UHFFFAOYSA-N

Compound name

4-methoxy-1-benzofuran-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 173.04768 Da
Monoisotopic Mass: 2.3
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]+	174.05496	134.8
[M+Na]+	196.03690	148.6
[M+NH4]+	191.08150	140.6
[M+K]+	212.01084	140.6
[M-H]-	172.04040	131.1
[M+Na-2H]-	194.02235	139.0
[M]+	173.04713	135.0
[M]-	173.04823	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe