CID 614207

29874-41-7

Structural Information

Molecular Formula

C₁₄H₈O₃

SMILES

C1=CC=C2C(=C1)C(=O)C(=CC3=CC=CO3)C2=O

InChI

InChI=1S/C14H8O3/c15-13-10-5-1-2-6-11(10)14(16)12(13)8-9-4-3-7-17-9/h1-8H

InChIKey

IVGUVWKWSGCMLD-UHFFFAOYSA-N

Compound name

2-(furan-2-ylmethylidene)indene-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 13
Patents: 224.04735 Da
Monoisotopic Mass: 2.6
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]+	225.054626	145.9
[M+Na]+	247.036568	156.5
[M-H]-	223.040074	155.3
[M+NH4]+	242.081173	167.7
[M+K]+	263.010508	153.3
[M+H-H2O]+	207.044610	141.2
[M+HCOO]-	269.045551	170.7
[M+CH3COO]-	283.061201	160.9
[M+Na-2H]-	245.022016	149.7
[M]+	224.04680142	148.0
[M]-	224.04789858	148.0

Literature stripe

literature stripe

Patent stripe

patents stripe