CID 688892

6-fluorochromone

Structural Information

Molecular Formula
C9H5FO2
SMILES
C1=CC2=C(C=C1F)C(=O)C=CO2
InChI
InChI=1S/C9H5FO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-5H
InChIKey
WHIGSYZUTMYUAX-UHFFFAOYSA-N
Compound name
6-fluorochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

148
Patents

164.02736 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.03464 128.3
[M+Na]+ 187.01658 143.5
[M+NH4]+ 182.06118 137.6
[M+K]+ 202.99052 136.6
[M-H]- 163.02008 131.6
[M+Na-2H]- 185.00203 136.0
[M]+ 164.02681 131.5
[M]- 164.02791 131.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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