CID 3067861

2-benzofuranmethanol, 7-ethoxy-alpha-(4-nitrophenyl)-

Structural Information

Molecular Formula
C17H15NO5
SMILES
CCOC1=CC=CC2=C1OC(=C2)C(C3=CC=C(C=C3)[N+](=O)[O-])O
InChI
InChI=1S/C17H15NO5/c1-2-22-14-5-3-4-12-10-15(23-17(12)14)16(19)11-6-8-13(9-7-11)18(20)21/h3-10,16,19H,2H2,1H3
InChIKey
VLDBYOVWADCHOY-UHFFFAOYSA-N
Compound name
(7-ethoxy-1-benzofuran-2-yl)-(4-nitrophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

313.09503 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.102306 170.0
[M+Na]+ 336.084248 177.1
[M-H]- 312.087754 177.7
[M+NH4]+ 331.128853 184.2
[M+K]+ 352.058188 170.7
[M+H-H2O]+ 296.092290 167.2
[M+HCOO]- 358.093231 193.2
[M+CH3COO]- 372.108881 197.8
[M+Na-2H]- 334.069696 176.4
[M]+ 313.09448142 173.2
[M]- 313.09557858 173.2
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

patents stripe