CID 14791391

Chembl167787

Structural Information

Molecular Formula
C15H9NO5
SMILES
C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C=C3)O)[N+](=O)[O-]
InChI
InChI=1S/C15H9NO5/c17-11-5-6-12-13(18)8-14(21-15(12)7-11)9-1-3-10(4-2-9)16(19)20/h1-8,17H
InChIKey
OPUYQGBDVLHIPY-UHFFFAOYSA-N
Compound name
7-hydroxy-2-(4-nitrophenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

283.04807 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.05535 158.5
[M+Na]+ 306.03729 167.2
[M-H]- 282.04079 166.4
[M+NH4]+ 301.08189 172.3
[M+K]+ 322.01123 160.3
[M+H-H2O]+ 266.04533 155.0
[M+HCOO]- 328.04627 181.4
[M+CH3COO]- 342.06192 192.1
[M+Na-2H]- 304.02274 167.9
[M]+ 283.04752 159.3
[M]- 283.04862 159.3
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