CID 3067861

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

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]+ 314.10231 170.0
[M+Na]+ 336.08425 177.1
[M-H]- 312.08775 177.7
[M+NH4]+ 331.12885 184.2
[M+K]+ 352.05819 170.7
[M+H-H2O]+ 296.09229 167.2
[M+HCOO]- 358.09323 193.2
[M+CH3COO]- 372.10888 197.8
[M+Na-2H]- 334.06970 176.4
[M]+ 313.09448 173.2
[M]- 313.09558 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