CID 3088265

117238-84-3

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]+ 300.086656 165.0
[M+Na]+ 322.068598 172.6
[M-H]- 298.072104 172.9
[M+NH4]+ 317.113203 179.8
[M+K]+ 338.042538 166.4
[M+H-H2O]+ 282.076640 162.4
[M+HCOO]- 344.077581 188.6
[M+CH3COO]- 358.093231 194.8
[M+Na-2H]- 320.054046 172.0
[M]+ 299.07883142 167.9
[M]- 299.07992858 167.9
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.