CID 170798

Einecs 256-414-9

Structural Information

Molecular Formula
C28H20O2
SMILES
C1=CC=C(C=C1)CC2=CC=C(C=C2)CC3=CC4=C(C=C3)C(=O)C5=CC=CC=C5C4=O
InChI
InChI=1S/C28H20O2/c29-27-23-8-4-5-9-24(23)28(30)26-18-22(14-15-25(26)27)17-21-12-10-20(11-13-21)16-19-6-2-1-3-7-19/h1-15,18H,16-17H2
InChIKey
YEQYGMGQQWXARK-UHFFFAOYSA-N
Compound name
2-[(4-benzylphenyl)methyl]anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.14633 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.15361 196.5
[M+Na]+ 411.13555 204.3
[M-H]- 387.13905 207.3
[M+NH4]+ 406.18015 208.9
[M+K]+ 427.10949 196.1
[M+H-H2O]+ 371.14359 184.8
[M+HCOO]- 433.14453 215.3
[M+CH3COO]- 447.16018 206.0
[M+Na-2H]- 409.12100 200.1
[M]+ 388.14578 196.0
[M]- 388.14688 196.0
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.