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]+ 285.07576 155.5
[M+Na]+ 307.05770 162.6
[M-H]- 283.06120 159.2
[M+NH4]+ 302.10230 176.6
[M+K]+ 323.03164 160.9
[M+H-H2O]+ 267.06574 149.8
[M+HCOO]- 329.06668 168.2
[M+CH3COO]- 343.08233 167.1
[M+Na-2H]- 305.04315 162.1
[M]+ 284.06793 161.6
[M]- 284.06903 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.