CID 3076257

130598-02-6

Structural Information

Molecular Formula
C18H14O4
SMILES
C1C(C2C(CC1=O)C(=O)C3=CC=CC=C3C2=O)C4=CC=CO4
InChI
InChI=1S/C18H14O4/c19-10-8-13(15-6-3-7-22-15)16-14(9-10)17(20)11-4-1-2-5-12(11)18(16)21/h1-7,13-14,16H,8-9H2
InChIKey
DGGWPTYADKGFKN-UHFFFAOYSA-N
Compound name
4-(furan-2-yl)-3,4,4a,9a-tetrahydro-1H-anthracene-2,9,10-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.0892 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.096476 163.5
[M+Na]+ 317.078418 172.2
[M-H]- 293.081924 172.8
[M+NH4]+ 312.123023 181.4
[M+K]+ 333.052358 168.4
[M+H-H2O]+ 277.086460 156.8
[M+HCOO]- 339.087401 181.4
[M+CH3COO]- 353.103051 175.8
[M+Na-2H]- 315.063866 166.2
[M]+ 294.08865142 162.7
[M]- 294.08974858 162.7
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.