CID 2368734

737820-09-6

Structural Information

Molecular Formula
C16H11FN2O3
SMILES
C=CCN1C=C(C=C(C1=O)C#N)C(=O)C2=C(C=CC(=C2)F)O
InChI
InChI=1S/C16H11FN2O3/c1-2-5-19-9-11(6-10(8-18)16(19)22)15(21)13-7-12(17)3-4-14(13)20/h2-4,6-7,9,20H,1,5H2
InChIKey
LZVGZKBKWHGNTP-UHFFFAOYSA-N
Compound name
5-(5-fluoro-2-hydroxybenzoyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.07538 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.08266 166.8
[M+Na]+ 321.06460 178.5
[M-H]- 297.06810 169.2
[M+NH4]+ 316.10920 178.6
[M+K]+ 337.03854 172.3
[M+H-H2O]+ 281.07264 151.6
[M+HCOO]- 343.07358 183.2
[M+CH3COO]- 357.08923 212.7
[M+Na-2H]- 319.05005 167.4
[M]+ 298.07483 162.0
[M]- 298.07593 162.0
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.