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

15
Patents

156.05865 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.06593 129.3
[M+Na]+ 179.04787 137.0
[M-H]- 155.05137 129.2
[M+NH4]+ 174.09247 149.0
[M+K]+ 195.02181 134.6
[M+H-H2O]+ 139.05591 123.5
[M+HCOO]- 201.05685 149.6
[M+CH3COO]- 215.07250 171.7
[M+Na-2H]- 177.03332 134.5
[M]+ 156.05810 126.5
[M]- 156.05920 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