CID 52275

Sc-348

Structural Information

Molecular Formula
C14H10O6
SMILES
CCOC(=O)C1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)C=O
InChI
InChI=1S/C14H10O6/c1-2-19-13(17)8-3-4-12-9(5-8)6-10(11(16)7-15)14(18)20-12/h3-7H,2H2,1H3
InChIKey
AAVDWGBZOIKECZ-UHFFFAOYSA-N
Compound name
ethyl 3-oxaldehydoyl-2-oxochromene-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.04773 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.05501 153.6
[M+Na]+ 297.03695 163.3
[M-H]- 273.04045 159.6
[M+NH4]+ 292.08155 169.6
[M+K]+ 313.01089 162.7
[M+H-H2O]+ 257.04499 147.0
[M+HCOO]- 319.04593 175.5
[M+CH3COO]- 333.06158 198.1
[M+Na-2H]- 295.02240 159.3
[M]+ 274.04718 160.5
[M]- 274.04828 160.5
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.