CID 357015

Nsc614584

Structural Information

Molecular Formula
C12H6O4
SMILES
C1=CC2=C(C(=O)C=CO2)C3=C1C=CC(=O)O3
InChI
InChI=1S/C12H6O4/c13-8-5-6-15-9-3-1-7-2-4-10(14)16-12(7)11(8)9/h1-6H
InChIKey
GTGOUNZTQHWQRH-UHFFFAOYSA-N
Compound name
pyrano[2,3-f]chromene-2,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.02661 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.03389 136.6
[M+Na]+ 237.01583 150.0
[M-H]- 213.01933 145.2
[M+NH4]+ 232.06043 155.2
[M+K]+ 252.98977 149.0
[M+H-H2O]+ 197.02387 130.1
[M+HCOO]- 259.02481 160.6
[M+CH3COO]- 273.04046 152.5
[M+Na-2H]- 235.00128 150.0
[M]+ 214.02606 143.3
[M]- 214.02716 143.3
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.