CID 47003481

(4r)-8-fluoro-3,4-dihydro-2h-1-benzopyran-4-ol

Structural Information

Molecular Formula
C9H9FO2
SMILES
C1COC2=C([C@@H]1O)C=CC=C2F
InChI
InChI=1S/C9H9FO2/c10-7-3-1-2-6-8(11)4-5-12-9(6)7/h1-3,8,11H,4-5H2/t8-/m1/s1
InChIKey
WQHKECFCIGOLGN-MRVPVSSYSA-N
Compound name
(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

168.05865 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.06593 132.4
[M+Na]+ 191.04787 145.2
[M+NH4]+ 186.09247 141.5
[M+K]+ 207.02181 139.0
[M-H]- 167.05137 135.0
[M+Na-2H]- 189.03332 137.7
[M]+ 168.05810 134.9
[M]- 168.05920 134.9
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