CID 3073316

4h-pyrano(3,2-b)pyridin-4-one, 2-(3-chlorophenyl)-

Structural Information

Molecular Formula
C14H8ClNO2
SMILES
C1=CC(=CC(=C1)Cl)C2=CC(=O)C3=C(O2)C=CC=N3
InChI
InChI=1S/C14H8ClNO2/c15-10-4-1-3-9(7-10)13-8-11(17)14-12(18-13)5-2-6-16-14/h1-8H
InChIKey
YJHDGRUKBWBDTR-UHFFFAOYSA-N
Compound name
2-(3-chlorophenyl)pyrano[3,2-b]pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.02435 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.03163 152.1
[M+Na]+ 280.01357 171.4
[M+NH4]+ 275.05817 162.0
[M+K]+ 295.98751 162.1
[M-H]- 256.01707 158.9
[M+Na-2H]- 277.99902 162.7
[M]+ 257.02380 157.5
[M]- 257.02490 157.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.