CID 5480908

105173-18-0

Structural Information

Molecular Formula
C15H9NO6
SMILES
C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)[N+](=O)[O-]
InChI
InChI=1S/C15H9NO6/c17-9-6-11(19)14(16(20)21)15-13(9)10(18)7-12(22-15)8-4-2-1-3-5-8/h1-7,17,19H
InChIKey
OKXTXFWJUDLXKG-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-8-nitro-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

299.043 Da
Monoisotopic Mass

3.4
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

patents stripe