CID 86767889

8-fluoro-7-hydroxy-3,4-dihydro-2h-1-benzopyran-4-one

Structural Information

Molecular Formula
C9H7FO3
SMILES
C1COC2=C(C1=O)C=CC(=C2F)O
InChI
InChI=1S/C9H7FO3/c10-8-7(12)2-1-5-6(11)3-4-13-9(5)8/h1-2,12H,3-4H2
InChIKey
ACKJJJGDMIPKQV-UHFFFAOYSA-N
Compound name
8-fluoro-7-hydroxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

182.03792 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.04520 131.5
[M+Na]+ 205.02714 141.1
[M-H]- 181.03064 134.7
[M+NH4]+ 200.07174 151.0
[M+K]+ 221.00108 139.5
[M+H-H2O]+ 165.03518 125.5
[M+HCOO]- 227.03612 150.6
[M+CH3COO]- 241.05177 178.3
[M+Na-2H]- 203.01259 139.0
[M]+ 182.03737 129.9
[M]- 182.03847 129.9
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