CID 65590

Pyridarone

Structural Information

Molecular Formula
C13H9NO
SMILES
C1=CC=C2C(=C1)C=C(O2)C3=CC=NC=C3
InChI
InChI=1S/C13H9NO/c1-2-4-12-11(3-1)9-13(15-12)10-5-7-14-8-6-10/h1-9H
InChIKey
LGTULKCVKOMQDR-UHFFFAOYSA-N
Compound name
4-(1-benzofuran-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

92
Patents

195.06842 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.07570 137.8
[M+Na]+ 218.05764 148.6
[M-H]- 194.06114 145.6
[M+NH4]+ 213.10224 157.5
[M+K]+ 234.03158 145.5
[M+H-H2O]+ 178.06568 130.7
[M+HCOO]- 240.06662 162.7
[M+CH3COO]- 254.08227 152.8
[M+Na-2H]- 216.04309 147.8
[M]+ 195.06787 140.5
[M]- 195.06897 140.5
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.