CID 13545020

Akos015906293

Structural Information

Molecular Formula
C15H8O4
SMILES
C1=CC=C2C(=C1)C(=O)C=C(C2=O)C3=CC=C(O3)C=O
InChI
InChI=1S/C15H8O4/c16-8-9-5-6-14(19-9)12-7-13(17)10-3-1-2-4-11(10)15(12)18/h1-8H
InChIKey
MXIRIIOWEZZLAF-UHFFFAOYSA-N
Compound name
5-(1,4-dioxonaphthalen-2-yl)furan-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.04225 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.04953 150.8
[M+Na]+ 275.03147 161.7
[M-H]- 251.03497 160.3
[M+NH4]+ 270.07607 169.6
[M+K]+ 291.00541 158.8
[M+H-H2O]+ 235.03951 144.6
[M+HCOO]- 297.04045 174.5
[M+CH3COO]- 311.05610 193.6
[M+Na-2H]- 273.01692 156.0
[M]+ 252.04170 154.2
[M]- 252.04280 154.2
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

No patent data available for this compound.