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]+ 319.09648 173.0
[M+Na]+ 341.07842 182.4
[M-H]- 317.08192 179.4
[M+NH4]+ 336.12302 192.6
[M+K]+ 357.05236 178.5
[M+H-H2O]+ 301.08646 166.3
[M+HCOO]- 363.08740 192.8
[M+CH3COO]- 377.10305 185.2
[M+Na-2H]- 339.06387 177.0
[M]+ 318.08865 179.8
[M]- 318.08975 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.