CID 65582318

1-(1,3-dihydro-2-benzofuran-5-yl)-2-(pyridin-4-yl)ethan-1-one

Structural Information

Molecular Formula
C15H13NO2
SMILES
C1C2=C(CO1)C=C(C=C2)C(=O)CC3=CC=NC=C3
InChI
InChI=1S/C15H13NO2/c17-15(7-11-3-5-16-6-4-11)12-1-2-13-9-18-10-14(13)8-12/h1-6,8H,7,9-10H2
InChIKey
JFYNLKBXWYLYOJ-UHFFFAOYSA-N
Compound name
1-(1,3-dihydro-2-benzofuran-5-yl)-2-pyridin-4-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.09464 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.101916 152.4
[M+Na]+ 262.083858 159.9
[M-H]- 238.087364 159.2
[M+NH4]+ 257.128463 169.7
[M+K]+ 278.057798 157.2
[M+H-H2O]+ 222.091900 144.7
[M+HCOO]- 284.092841 173.0
[M+CH3COO]- 298.108491 165.0
[M+Na-2H]- 260.069306 158.0
[M]+ 239.09409142 152.9
[M]- 239.09518858 152.9
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.