CID 102350801

(1r)-1-(3-fluorophenyl)ethane-1,2-diol

Structural Information

Molecular Formula
C8H9FO2
SMILES
C1=CC(=CC(=C1)F)[C@H](CO)O
InChI
InChI=1S/C8H9FO2/c9-7-3-1-2-6(4-7)8(11)5-10/h1-4,8,10-11H,5H2/t8-/m0/s1
InChIKey
FMMQDBBTPHYEPA-QMMMGPOBSA-N
Compound name
(1R)-1-(3-fluorophenyl)ethane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

156.05865 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.065926 129.3
[M+Na]+ 179.047868 137.0
[M-H]- 155.051374 129.2
[M+NH4]+ 174.092473 149.0
[M+K]+ 195.021808 134.6
[M+H-H2O]+ 139.055910 123.5
[M+HCOO]- 201.056851 149.6
[M+CH3COO]- 215.072501 171.7
[M+Na-2H]- 177.033316 134.5
[M]+ 156.05810142 126.5
[M]- 156.05919858 126.5
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