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

0
Patents

166.04301 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.05029 128.0
[M+Na]+ 189.03223 137.1
[M-H]- 165.03573 132.2
[M+NH4]+ 184.07683 148.6
[M+K]+ 205.00617 135.9
[M+H-H2O]+ 149.04027 121.7
[M+HCOO]- 211.04121 148.3
[M+CH3COO]- 225.05686 177.5
[M+Na-2H]- 187.01768 136.5
[M]+ 166.04246 126.3
[M]- 166.04356 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

No patent data available for this compound.