CID 493378

7-methoxy-2-(3-nitrophenyl)chromen-4-one

Structural Information

Molecular Formula
C16H11NO5
SMILES
COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C16H11NO5/c1-21-12-5-6-13-14(18)9-15(22-16(13)8-12)10-3-2-4-11(7-10)17(19)20/h2-9H,1H3
InChIKey
UCVJFEDQWUIDKK-UHFFFAOYSA-N
Compound name
7-methoxy-2-(3-nitrophenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

297.06372 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.07100 163.8
[M+Na]+ 320.05294 172.5
[M-H]- 296.05644 172.9
[M+NH4]+ 315.09754 177.7
[M+K]+ 336.02688 166.3
[M+H-H2O]+ 280.06098 159.8
[M+HCOO]- 342.06192 187.8
[M+CH3COO]- 356.07757 197.7
[M+Na-2H]- 318.03839 173.0
[M]+ 297.06317 166.7
[M]- 297.06427 166.7
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.