CID 75356580

(4s)-7-fluoro-3,4-dihydro-2h-1-benzopyran-4-ol

Structural Information

Molecular Formula
C9H9FO2
SMILES
C1COC2=C([C@H]1O)C=CC(=C2)F
InChI
InChI=1S/C9H9FO2/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-2,5,8,11H,3-4H2/t8-/m0/s1
InChIKey
IQEYDZJEDYEEBL-QMMMGPOBSA-N
Compound name
(4S)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.05865 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.065926 130.0
[M+Na]+ 191.047868 138.4
[M-H]- 167.051374 132.8
[M+NH4]+ 186.092473 149.9
[M+K]+ 207.021808 136.8
[M+H-H2O]+ 151.055910 123.9
[M+HCOO]- 213.056851 148.6
[M+CH3COO]- 227.072501 175.8
[M+Na-2H]- 189.033316 138.0
[M]+ 168.05810142 127.2
[M]- 168.05919858 127.2
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.