CID 3632228

26956-45-6

Structural Information

Molecular Formula

C₁₁H₇NO₂

SMILES

C1=CC=C2C(=C1)C3=C(O2)C=CNC3=O

InChI

InChI=1S/C11H7NO2/c13-11-10-7-3-1-2-4-8(7)14-9(10)5-6-12-11/h1-6H,(H,12,13)

InChIKey

FKJHCAUIXAAMCN-UHFFFAOYSA-N

Compound name

2H-[1]benzofuro[3,2-c]pyridin-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 16
Patents: 185.04768 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]+	186.05496	132.6
[M+Na]+	208.03690	144.9
[M-H]-	184.04040	137.4
[M+NH4]+	203.08150	153.5
[M+K]+	224.01084	141.3
[M+H-H2O]+	168.04494	126.9
[M+HCOO]-	230.04588	155.4
[M+CH3COO]-	244.06153	147.6
[M+Na-2H]-	206.02235	143.2
[M]+	185.04713	135.3
[M]-	185.04823	135.3

Literature stripe

literature stripe

Patent stripe

patents stripe