CID 6447603

Brn 0044047

Structural Information

Molecular Formula
C17H13NO5
SMILES
COC1=CC2=C(C=C1)C(=O)/C(=C\C3=CC=C(C=C3)[N+](=O)[O-])/CO2
InChI
InChI=1S/C17H13NO5/c1-22-14-6-7-15-16(9-14)23-10-12(17(15)19)8-11-2-4-13(5-3-11)18(20)21/h2-9H,10H2,1H3/b12-8-
InChIKey
HSMKKLGIJSLBBJ-WQLSENKSSA-N
Compound name
(3Z)-7-methoxy-3-[(4-nitrophenyl)methylidene]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.07938 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.08666 169.1
[M+Na]+ 334.06860 175.8
[M-H]- 310.07210 177.3
[M+NH4]+ 329.11320 182.2
[M+K]+ 350.04254 169.0
[M+H-H2O]+ 294.07664 165.2
[M+HCOO]- 356.07758 190.2
[M+CH3COO]- 370.09323 199.7
[M+Na-2H]- 332.05405 176.0
[M]+ 311.07883 168.8
[M]- 311.07993 168.8
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.