CID 54694570

2145-27-9

Structural Information

Molecular Formula
C9H5FO3
SMILES
C1=CC2=C(C=C1F)OC(=O)C=C2O
InChI
InChI=1S/C9H5FO3/c10-5-1-2-6-7(11)4-9(12)13-8(6)3-5/h1-4,11H
InChIKey
FSWKHPJLMMGTBV-UHFFFAOYSA-N
Compound name
7-fluoro-4-hydroxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
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

No literature data available for this compound.

Patent stripe

patents stripe