CID 5491730

5-hydroxybowdichione

Structural Information

Molecular Formula
C16H10O7
SMILES
COC1=CC(=O)C(=CC1=O)C2=COC3=CC(=CC(=C3C2=O)O)O
InChI
InChI=1S/C16H10O7/c1-22-13-5-10(18)8(4-11(13)19)9-6-23-14-3-7(17)2-12(20)15(14)16(9)21/h2-6,17,20H,1H3
InChIKey
XTAGXYXCZYACHC-UHFFFAOYSA-N
Compound name
2-(5,7-dihydroxy-4-oxochromen-3-yl)-5-methoxycyclohexa-2,5-diene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

314.04266 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.04994 163.9
[M+Na]+ 337.03188 175.4
[M-H]- 313.03538 171.4
[M+NH4]+ 332.07648 177.3
[M+K]+ 353.00582 173.3
[M+H-H2O]+ 297.03992 156.4
[M+HCOO]- 359.04086 183.6
[M+CH3COO]- 373.05651 203.5
[M+Na-2H]- 335.01733 168.5
[M]+ 314.04211 168.9
[M]- 314.04321 168.9
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.