CID 3088265

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

Structural Information

Molecular Formula
C16H13NO5
SMILES
COC1=CC=CC2=C1OC(=C2)C(C3=CC=C(C=C3)[N+](=O)[O-])O
InChI
InChI=1S/C16H13NO5/c1-21-13-4-2-3-11-9-14(22-16(11)13)15(18)10-5-7-12(8-6-10)17(19)20/h2-9,15,18H,1H3
InChIKey
QOSOLPHYDKDOFL-UHFFFAOYSA-N
Compound name
(7-methoxy-1-benzofuran-2-yl)-(4-nitrophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.07938 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.08666 163.8
[M+Na]+ 322.06860 178.7
[M+NH4]+ 317.11320 171.6
[M+K]+ 338.04254 177.2
[M-H]- 298.07210 170.0
[M+Na-2H]- 320.05405 170.6
[M]+ 299.07883 167.6
[M]- 299.07993 167.6
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.