CID 3077177

Brn 5442630

Structural Information

Molecular Formula
C14H14O6
SMILES
COC1=CC=C(C=C1)C2=CC(=O)C(O2)CC(=O)OOC
InChI
InChI=1S/C14H14O6/c1-17-10-5-3-9(4-6-10)12-7-11(15)13(19-12)8-14(16)20-18-2/h3-7,13H,8H2,1-2H3
InChIKey
HICFOHIAVYCOJU-UHFFFAOYSA-N
Compound name
methyl 2-[5-(4-methoxyphenyl)-3-oxofuran-2-yl]ethaneperoxoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.07904 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.08632 158.0
[M+Na]+ 301.06826 166.1
[M-H]- 277.07176 166.0
[M+NH4]+ 296.11286 174.5
[M+K]+ 317.04220 166.4
[M+H-H2O]+ 261.07630 151.5
[M+HCOO]- 323.07724 181.5
[M+CH3COO]- 337.09289 196.9
[M+Na-2H]- 299.05371 160.7
[M]+ 278.07849 164.8
[M]- 278.07959 164.8
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.