CID 6445615

R 5210

Structural Information

Molecular Formula
C17H13NO4
SMILES
COC1=CC2=C(C=C1)C(=C(O2)/C=C/[N+](=O)[O-])C3=CC=CC=C3
InChI
InChI=1S/C17H13NO4/c1-21-13-7-8-14-16(11-13)22-15(9-10-18(19)20)17(14)12-5-3-2-4-6-12/h2-11H,1H3/b10-9+
InChIKey
CFTRVURMWPKSNG-MDZDMXLPSA-N
Compound name
6-methoxy-2-[(E)-2-nitroethenyl]-3-phenyl-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.08447 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.09175 164.6
[M+Na]+ 318.07369 180.8
[M+NH4]+ 313.11829 173.0
[M+K]+ 334.04763 177.2
[M-H]- 294.07719 171.7
[M+Na-2H]- 316.05914 172.5
[M]+ 295.08392 169.0
[M]- 295.08502 169.0
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.