CID 97174

Bianthronyl

Structural Information

Molecular Formula
C28H18O2
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C3C2=O)C4C5=CC=CC=C5C(=O)C6=CC=CC=C46
InChI
InChI=1S/C28H18O2/c29-27-21-13-5-1-9-17(21)25(18-10-2-6-14-22(18)27)26-19-11-3-7-15-23(19)28(30)24-16-8-4-12-20(24)26/h1-16,25-26H
InChIKey
ZQXZUOJNJXNUEO-UHFFFAOYSA-N
Compound name
10-(10-oxo-9H-anthracen-9-yl)-10H-anthracen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

386.13068 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.13796 192.5
[M+Na]+ 409.11990 200.9
[M-H]- 385.12340 201.8
[M+NH4]+ 404.16450 206.8
[M+K]+ 425.09384 192.4
[M+H-H2O]+ 369.12794 180.4
[M+HCOO]- 431.12888 207.4
[M+CH3COO]- 445.14453 201.7
[M+Na-2H]- 407.10535 197.6
[M]+ 386.13013 190.6
[M]- 386.13123 190.6
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.