CID 6445615

Benzofuran, 6-methoxy-2-(2-nitroethenyl)-3-phenyl-

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]+ 296.091746 167.0
[M+Na]+ 318.073688 175.6
[M-H]- 294.077194 176.1
[M+NH4]+ 313.118293 182.9
[M+K]+ 334.047628 168.3
[M+H-H2O]+ 278.081730 164.1
[M+HCOO]- 340.082671 192.8
[M+CH3COO]- 354.098321 196.0
[M+Na-2H]- 316.059136 174.6
[M]+ 295.08392142 170.5
[M]- 295.08501858 170.5
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.