CID 515646

Dimethyl fluoranthene-3,8-dicarboxylate

Structural Information

Molecular Formula
C20H14O4
SMILES
COC(=O)C1=CC2=C(C=C1)C3=C4C2=CC=CC4=C(C=C3)C(=O)OC
InChI
InChI=1S/C20H14O4/c1-23-19(21)11-6-7-12-15-8-9-16(20(22)24-2)13-4-3-5-14(18(13)15)17(12)10-11/h3-10H,1-2H3
InChIKey
AKSIAFBZJCGORO-UHFFFAOYSA-N
Compound name
dimethyl fluoranthene-3,8-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

318.0892 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.096476 173.0
[M+Na]+ 341.078418 182.4
[M-H]- 317.081924 179.4
[M+NH4]+ 336.123023 192.6
[M+K]+ 357.052358 178.5
[M+H-H2O]+ 301.086460 166.3
[M+HCOO]- 363.087401 192.8
[M+CH3COO]- 377.103051 185.2
[M+Na-2H]- 339.063866 177.0
[M]+ 318.08865142 179.8
[M]- 318.08974858 179.8
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.