CID 5270555

7-methoxy-3'-nitroflavanone

Structural Information

Molecular Formula
C16H13NO5
SMILES
COC1=CC2=C(C=C1)C(=O)CC(O2)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C16H13NO5/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/h2-8,15H,9H2,1H3
InChIKey
ZIVZCTRHWWTPQT-UHFFFAOYSA-N
Compound name
7-methoxy-2-(3-nitrophenyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.07938 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.08666 165.1
[M+Na]+ 322.06860 171.8
[M-H]- 298.07210 173.4
[M+NH4]+ 317.11320 178.8
[M+K]+ 338.04254 165.9
[M+H-H2O]+ 282.07664 161.3
[M+HCOO]- 344.07758 186.3
[M+CH3COO]- 358.09323 198.2
[M+Na-2H]- 320.05405 172.6
[M]+ 299.07883 165.2
[M]- 299.07993 165.2
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.