CID 322707

Nsc280813

Structural Information

Molecular Formula
C13H9NO2
SMILES
C1=CC=C(C=C1)C2C3=C(C(=O)O2)N=CC=C3
InChI
InChI=1S/C13H9NO2/c15-13-11-10(7-4-8-14-11)12(16-13)9-5-2-1-3-6-9/h1-8,12H
InChIKey
VTBSPHPHXWPKCH-UHFFFAOYSA-N
Compound name
5-phenyl-5H-furo[3,4-b]pyridin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.06332 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.07060 142.5
[M+Na]+ 234.05254 152.2
[M-H]- 210.05604 150.0
[M+NH4]+ 229.09714 161.4
[M+K]+ 250.02648 149.5
[M+H-H2O]+ 194.06058 135.3
[M+HCOO]- 256.06152 164.9
[M+CH3COO]- 270.07717 156.5
[M+Na-2H]- 232.03799 149.7
[M]+ 211.06277 143.4
[M]- 211.06387 143.4
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.