CID 12241080

5,7-dihydroxy-3-(4-nitrophenyl)-4-oxo-chromene-2-carboxylic acid

Structural Information

Molecular Formula
C16H9NO8
SMILES
C1=CC(=CC=C1C2=C(OC3=CC(=CC(=C3C2=O)O)O)C(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C16H9NO8/c18-9-5-10(19)13-11(6-9)25-15(16(21)22)12(14(13)20)7-1-3-8(4-2-7)17(23)24/h1-6,18-19H,(H,21,22)
InChIKey
NRYKYWMTZYDAMV-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-3-(4-nitrophenyl)-4-oxochromene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

343.0328 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.04008 169.8
[M+Na]+ 366.02202 177.8
[M-H]- 342.02552 175.6
[M+NH4]+ 361.06662 179.6
[M+K]+ 381.99596 171.7
[M+H-H2O]+ 326.03006 166.4
[M+HCOO]- 388.03100 188.8
[M+CH3COO]- 402.04665 200.0
[M+Na-2H]- 364.00747 176.4
[M]+ 343.03225 171.1
[M]- 343.03335 171.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.