CID 22973

6468-77-5

Structural Information

Molecular Formula
C12H6O6
SMILES
C1=CC2=C(C=C1C(=O)O)C=C(C(=O)O2)C(=O)C=O
InChI
InChI=1S/C12H6O6/c13-5-9(14)8-4-7-3-6(11(15)16)1-2-10(7)18-12(8)17/h1-5H,(H,15,16)
InChIKey
GKOUAWRICOWBRG-UHFFFAOYSA-N
Compound name
3-oxaldehydoyl-2-oxochromene-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.01643 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.02371 144.5
[M+Na]+ 269.00565 154.5
[M-H]- 245.00915 149.4
[M+NH4]+ 264.05025 160.9
[M+K]+ 284.97959 153.5
[M+H-H2O]+ 229.01369 138.5
[M+HCOO]- 291.01463 165.6
[M+CH3COO]- 305.03028 190.4
[M+Na-2H]- 266.99110 150.8
[M]+ 246.01588 149.0
[M]- 246.01698 149.0
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.