CID 569440

873395-19-8

Structural Information

Molecular Formula

C₁₅H₁₁NO₃

SMILES

C1C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3)C(=O)O1

InChI

InChI=1S/C15H11NO3/c17-14(10-4-2-1-3-5-10)16-12-7-6-11-9-19-15(18)13(11)8-12/h1-8H,9H2,(H,16,17)

InChIKey

VFZQBZVIVQOFMH-UHFFFAOYSA-N

Compound name

N-(3-oxo-1H-2-benzofuran-5-yl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 253.0739 Da
Monoisotopic Mass: 2.2
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]+	254.081176	154.0
[M+Na]+	276.063118	161.7
[M-H]-	252.066624	162.6
[M+NH4]+	271.107723	171.9
[M+K]+	292.037058	159.2
[M+H-H2O]+	236.071160	147.1
[M+HCOO]-	298.072101	177.4
[M+CH3COO]-	312.087751	167.1
[M+Na-2H]-	274.048566	159.7
[M]+	253.07335142	154.5
[M]-	253.07444858	154.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe