CID 5417176

Brn 5447008

Structural Information

Molecular Formula
C15H9NO6
SMILES
C1=CC(=CC=C1[N+](=O)[O-])OC2=COC3=C(C2=O)C=CC(=C3)O
InChI
InChI=1S/C15H9NO6/c17-10-3-6-12-13(7-10)21-8-14(15(12)18)22-11-4-1-9(2-5-11)16(19)20/h1-8,17H
InChIKey
UTXKAQHACDWHLS-UHFFFAOYSA-N
Compound name
7-hydroxy-3-(4-nitrophenoxy)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.043 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.05028 161.4
[M+Na]+ 322.03222 169.8
[M-H]- 298.03572 169.3
[M+NH4]+ 317.07682 174.4
[M+K]+ 338.00616 163.7
[M+H-H2O]+ 282.04026 157.6
[M+HCOO]- 344.04120 184.4
[M+CH3COO]- 358.05685 194.4
[M+Na-2H]- 320.01767 171.1
[M]+ 299.04245 163.6
[M]- 299.04355 163.6
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.