CID 15956533

Chembl203855

Structural Information

Molecular Formula
C15H9NO6
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C2=COC3=CC(=CC(=C3C2=O)O)O
InChI
InChI=1S/C15H9NO6/c17-10-5-12(18)14-13(6-10)22-7-11(15(14)19)8-2-1-3-9(4-8)16(20)21/h1-7,17-18H
InChIKey
POHGGWWIRLYUAI-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-3-(3-nitrophenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

299.043 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.05028 161.3
[M+Na]+ 322.03222 170.1
[M-H]- 298.03572 168.3
[M+NH4]+ 317.07682 173.9
[M+K]+ 338.00616 163.3
[M+H-H2O]+ 282.04026 158.0
[M+HCOO]- 344.04120 182.8
[M+CH3COO]- 358.05685 193.2
[M+Na-2H]- 320.01767 169.9
[M]+ 299.04245 162.2
[M]- 299.04355 162.2
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.