CID 13953817

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

Structural Information

Molecular Formula
C9H7FO2
SMILES
C1COC2=C(C1=O)C=CC=C2F
InChI
InChI=1S/C9H7FO2/c10-7-3-1-2-6-8(11)4-5-12-9(6)7/h1-3H,4-5H2
InChIKey
FKDMFDMYQZIZMI-UHFFFAOYSA-N
Compound name
8-fluoro-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

174
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

literature stripe

Patent stripe

patents stripe