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

50
Patents

180.02228 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.029556 128.8
[M+Na]+ 203.011498 140.5
[M-H]- 179.015004 132.8
[M+NH4]+ 198.056103 148.6
[M+K]+ 218.985438 138.5
[M+H-H2O]+ 163.019540 122.8
[M+HCOO]- 225.020481 150.8
[M+CH3COO]- 239.036131 177.7
[M+Na-2H]- 200.996946 138.2
[M]+ 180.02173142 130.1
[M]- 180.02282858 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