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

8
Patents

224.04735 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.05463 147.0
[M+Na]+ 247.03657 160.2
[M+NH4]+ 242.08117 155.7
[M+K]+ 263.01051 157.1
[M-H]- 223.04007 151.5
[M+Na-2H]- 245.02202 152.7
[M]+ 224.04680 150.1
[M]- 224.04790 150.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe