CID 54691406

6-fluoro-4-hydroxycoumarin

Structural Information

Molecular Formula
C9H5FO3
SMILES
C1=CC2=C(C=C1F)C(=CC(=O)O2)O
InChI
InChI=1S/C9H5FO3/c10-5-1-2-8-6(3-5)7(11)4-9(12)13-8/h1-4,11H
InChIKey
JCOYNGQUPPGRNB-UHFFFAOYSA-N
Compound name
6-fluoro-4-hydroxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

131
Patents

180.02228 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.02956 128.8
[M+Na]+ 203.01150 140.5
[M-H]- 179.01500 132.8
[M+NH4]+ 198.05610 148.6
[M+K]+ 218.98544 138.5
[M+H-H2O]+ 163.01954 122.8
[M+HCOO]- 225.02048 150.8
[M+CH3COO]- 239.03613 177.7
[M+Na-2H]- 200.99695 138.2
[M]+ 180.02173 130.1
[M]- 180.02283 130.1
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

patents stripe