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]+ 183.045196 131.5
[M+Na]+ 205.027138 141.1
[M-H]- 181.030644 134.7
[M+NH4]+ 200.071743 151.0
[M+K]+ 221.001078 139.5
[M+H-H2O]+ 165.035180 125.5
[M+HCOO]- 227.036121 150.6
[M+CH3COO]- 241.051771 178.3
[M+Na-2H]- 203.012586 139.0
[M]+ 182.03737142 129.9
[M]- 182.03846858 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