CID 82597037

8-fluoro-3,4-dihydro-2h-1-benzopyran-3-one

Structural Information

Molecular Formula
C9H7FO2
SMILES
C1C(=O)COC2=C1C=CC=C2F
InChI
InChI=1S/C9H7FO2/c10-8-3-1-2-6-4-7(11)5-12-9(6)8/h1-3H,4-5H2
InChIKey
PHDKPNGWCRQAFE-UHFFFAOYSA-N
Compound name
8-fluoro-4H-chromen-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

166.04301 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.050286 128.0
[M+Na]+ 189.032228 137.1
[M-H]- 165.035734 132.2
[M+NH4]+ 184.076833 148.6
[M+K]+ 205.006168 135.9
[M+H-H2O]+ 149.040270 121.7
[M+HCOO]- 211.041211 148.3
[M+CH3COO]- 225.056861 177.5
[M+Na-2H]- 187.017676 136.5
[M]+ 166.04246142 126.3
[M]- 166.04355858 126.3
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