CID 106709

1,2,3,4-tetrahydro-4a,9a-epoxy-1,4-methanoanthracene-9,10-dione

Structural Information

Molecular Formula
C15H12O3
SMILES
C1CC2CC1C34C2(O3)C(=O)C5=CC=CC=C5C4=O
InChI
InChI=1S/C15H12O3/c16-12-10-3-1-2-4-11(10)13(17)15-9-6-5-8(7-9)14(12,15)18-15/h1-4,8-9H,5-7H2
InChIKey
SAOYHILCLZZLNL-UHFFFAOYSA-N
Compound name
15-oxapentacyclo[8.4.1.111,14.01,10.03,8]hexadeca-3,5,7-triene-2,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.07864 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.085916 151.9
[M+Na]+ 263.067858 164.4
[M-H]- 239.071364 160.8
[M+NH4]+ 258.112463 174.1
[M+K]+ 279.041798 160.4
[M+H-H2O]+ 223.075900 147.8
[M+HCOO]- 285.076841 168.2
[M+CH3COO]- 299.092491 165.5
[M+Na-2H]- 261.053306 158.1
[M]+ 240.07809142 156.3
[M]- 240.07918858 156.3
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.