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

35
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

literature stripe

Patent stripe

patents stripe