CID 226121

6296-53-3

Structural Information

Molecular Formula

C₁₀H₇NO₄

SMILES

CC(=O)NC1=CC=CC2=C1C(=O)OC2=O

InChI

InChI=1S/C10H7NO4/c1-5(12)11-7-4-2-3-6-8(7)10(14)15-9(6)13/h2-4H,1H3,(H,11,12)

InChIKey

PAUAJOABXCGLCN-UHFFFAOYSA-N

Compound name

N-(1,3-dioxo-2-benzofuran-4-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 591
Patents: 205.0375 Da
Monoisotopic Mass: 1.0
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]+	206.04478	140.6
[M+Na]+	228.02672	151.5
[M+NH4]+	223.07132	147.8
[M+K]+	244.00066	149.2
[M-H]-	204.03022	142.7
[M+Na-2H]-	226.01217	143.8
[M]+	205.03695	142.4
[M]-	205.03805	142.4

Literature stripe

literature stripe

Patent stripe

patents stripe