CID 5272183

2,8-dibenzofurandiacetaldehyde, .alpha.,.alpha.'-dioxo-

Structural Information

Molecular Formula
C16H8O5
SMILES
C1=CC2=C(C=C1C(=O)C=O)C3=C(O2)C=CC(=C3)C(=O)C=O
InChI
InChI=1S/C16H8O5/c17-7-13(19)9-1-3-15-11(5-9)12-6-10(14(20)8-18)2-4-16(12)21-15/h1-8H
InChIKey
KZQCNPCZQASCOG-UHFFFAOYSA-N
Compound name
2-(8-oxaldehydoyldibenzofuran-2-yl)-2-oxoacetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

280.03717 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.04445 157.4
[M+Na]+ 303.02639 168.3
[M-H]- 279.02989 164.7
[M+NH4]+ 298.07099 175.9
[M+K]+ 319.00033 165.9
[M+H-H2O]+ 263.03443 151.6
[M+HCOO]- 325.03537 180.2
[M+CH3COO]- 339.05102 199.8
[M+Na-2H]- 301.01184 163.1
[M]+ 280.03662 164.4
[M]- 280.03772 164.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.