CID 101655140

Dtxsid8052568

Structural Information

Molecular Formula
C26H16O4
SMILES
C1=CC=C(C=C1)OC2=CC3=C(C=C2)C(=O)C4=C(C3=O)C=CC=C4OC5=CC=CC=C5
InChI
InChI=1S/C26H16O4/c27-25-21-12-7-13-23(30-18-10-5-2-6-11-18)24(21)26(28)20-15-14-19(16-22(20)25)29-17-8-3-1-4-9-17/h1-16H
InChIKey
CAZSYULXGWBERJ-UHFFFAOYSA-N
Compound name
1,6-diphenoxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.10486 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.11214 193.7
[M+Na]+ 415.09408 202.0
[M-H]- 391.09758 204.9
[M+NH4]+ 410.13868 205.7
[M+K]+ 431.06802 195.8
[M+H-H2O]+ 375.10212 182.0
[M+HCOO]- 437.10306 213.4
[M+CH3COO]- 451.11871 203.8
[M+Na-2H]- 413.07953 198.7
[M]+ 392.10431 195.4
[M]- 392.10541 195.4
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.