CID 28293932

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

Structural Information

Molecular Formula
C9H9FO
SMILES
C1CC2=C([C@@H]1O)C=CC=C2F
InChI
InChI=1S/C9H9FO/c10-8-3-1-2-7-6(8)4-5-9(7)11/h1-3,9,11H,4-5H2/t9-/m1/s1
InChIKey
ORUNCRYHQOWNDO-SECBINFHSA-N
Compound name
(1R)-4-fluoro-2,3-dihydro-1H-inden-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

152.06374 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.071016 127.4
[M+Na]+ 175.052958 136.7
[M-H]- 151.056464 129.8
[M+NH4]+ 170.097563 151.2
[M+K]+ 191.026898 133.5
[M+H-H2O]+ 135.061000 122.1
[M+HCOO]- 197.061941 148.9
[M+CH3COO]- 211.077591 173.4
[M+Na-2H]- 173.038406 133.0
[M]+ 152.06319142 124.7
[M]- 152.06428858 124.7
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.