CID 118639

34316-54-6

Structural Information

Molecular Formula
C28H14Br2O2
SMILES
C1=CC=C2C(=C1)C(=C3C4=CC=CC=C4C(=O)C5=C3C=C(C=C5)Br)C6=C(C2=O)C=CC(=C6)Br
InChI
InChI=1S/C28H14Br2O2/c29-15-9-11-21-23(13-15)25(17-5-1-3-7-19(17)27(21)31)26-18-6-2-4-8-20(18)28(32)22-12-10-16(30)14-24(22)26/h1-14H
InChIKey
RDWYKRDNFXGTBO-UHFFFAOYSA-N
Compound name
3-bromo-10-(2-bromo-10-oxoanthracen-9-ylidene)anthracen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

539.93604 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 540.94332 205.7
[M+Na]+ 562.92526 214.4
[M-H]- 538.92876 216.1
[M+NH4]+ 557.96986 218.9
[M+K]+ 578.89920 200.2
[M+H-H2O]+ 522.93330 210.8
[M+HCOO]- 584.93424 214.3
[M+CH3COO]- 598.94989 214.8
[M+Na-2H]- 560.91071 208.5
[M]+ 539.93549 236.7
[M]- 539.93659 236.7
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

No patent data available for this compound.