CID 369639

Nsc641594

Structural Information

Molecular Formula
C20H12O4
SMILES
CC1=C(C2=C(O1)C(=O)C3=CC=CC=C3C2=O)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C20H12O4/c1-11-15(17(21)12-7-3-2-4-8-12)16-18(22)13-9-5-6-10-14(13)19(23)20(16)24-11/h2-10H,1H3
InChIKey
LNYQSJFKIKAWNL-UHFFFAOYSA-N
Compound name
3-benzoyl-2-methylbenzo[f][1]benzofuran-4,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.07355 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.08083 170.3
[M+Na]+ 339.06277 180.7
[M-H]- 315.06627 180.5
[M+NH4]+ 334.10737 187.3
[M+K]+ 355.03671 176.8
[M+H-H2O]+ 299.07081 163.2
[M+HCOO]- 361.07175 190.7
[M+CH3COO]- 375.08740 183.2
[M+Na-2H]- 337.04822 173.5
[M]+ 316.07300 173.8
[M]- 316.07410 173.8
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.