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]+ 240.10192 152.4
[M+Na]+ 262.08386 159.9
[M-H]- 238.08736 159.2
[M+NH4]+ 257.12846 169.7
[M+K]+ 278.05780 157.2
[M+H-H2O]+ 222.09190 144.7
[M+HCOO]- 284.09284 173.0
[M+CH3COO]- 298.10849 165.0
[M+Na-2H]- 260.06931 158.0
[M]+ 239.09409 152.9
[M]- 239.09519 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.