CID 5171012

24943-22-4

Structural Information

Molecular Formula
C16H12O5
SMILES
COC(=O)C1=CC=CC2=C1C3C=CC2C4C3C(=O)OC4=O
InChI
InChI=1S/C16H12O5/c1-20-14(17)10-4-2-3-7-8-5-6-9(11(7)10)13-12(8)15(18)21-16(13)19/h2-6,8-9,12-13H,1H3
InChIKey
FMXJBHKQHZUJOY-UHFFFAOYSA-N
Compound name
methyl 10,12-dioxo-11-oxatetracyclo[6.5.2.02,7.09,13]pentadeca-2(7),3,5,14-tetraene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.06848 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.075756 155.5
[M+Na]+ 307.057698 162.6
[M-H]- 283.061204 159.2
[M+NH4]+ 302.102303 176.6
[M+K]+ 323.031638 160.9
[M+H-H2O]+ 267.065740 149.8
[M+HCOO]- 329.066681 168.2
[M+CH3COO]- 343.082331 167.1
[M+Na-2H]- 305.043146 162.1
[M]+ 284.06793142 161.6
[M]- 284.06902858 161.6
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.