CID 22152372

1824622-81-2

Structural Information

Molecular Formula
C8H6FNO2
SMILES
C1COC2=C(C1=O)C=C(C=N2)F
InChI
InChI=1S/C8H6FNO2/c9-5-3-6-7(11)1-2-12-8(6)10-4-5/h3-4H,1-2H2
InChIKey
VXGRHCQACHKURP-UHFFFAOYSA-N
Compound name
6-fluoro-2,3-dihydropyrano[2,3-b]pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

167.03825 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.045526 128.5
[M+Na]+ 190.027468 138.1
[M-H]- 166.030974 131.3
[M+NH4]+ 185.072073 147.7
[M+K]+ 206.001408 136.9
[M+H-H2O]+ 150.035510 121.3
[M+HCOO]- 212.036451 147.8
[M+CH3COO]- 226.052101 177.2
[M+Na-2H]- 188.012916 137.4
[M]+ 167.03770142 127.0
[M]- 167.03879858 127.0
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

patents stripe