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]+ 295.09648 163.5
[M+Na]+ 317.07842 172.2
[M-H]- 293.08192 172.8
[M+NH4]+ 312.12302 181.4
[M+K]+ 333.05236 168.4
[M+H-H2O]+ 277.08646 156.8
[M+HCOO]- 339.08740 181.4
[M+CH3COO]- 353.10305 175.8
[M+Na-2H]- 315.06387 166.2
[M]+ 294.08865 162.7
[M]- 294.08975 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.