CID 22152372

Schembl10473561

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]+ 168.04553 128.5
[M+Na]+ 190.02747 138.1
[M-H]- 166.03097 131.3
[M+NH4]+ 185.07207 147.7
[M+K]+ 206.00141 136.9
[M+H-H2O]+ 150.03551 121.3
[M+HCOO]- 212.03645 147.8
[M+CH3COO]- 226.05210 177.2
[M+Na-2H]- 188.01292 137.4
[M]+ 167.03770 127.0
[M]- 167.03880 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