CID 573132

2-(3-fluorophenyl)ethanol

Structural Information

Molecular Formula
C8H9FO
SMILES
C1=CC(=CC(=C1)F)CCO
InChI
InChI=1S/C8H9FO/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6,10H,4-5H2
InChIKey
MZNBGEKFZCWVES-UHFFFAOYSA-N
Compound name
2-(3-fluorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

646
Patents

140.06374 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.071016 125.0
[M+Na]+ 163.052958 133.4
[M-H]- 139.056464 126.3
[M+NH4]+ 158.097563 146.2
[M+K]+ 179.026898 131.0
[M+H-H2O]+ 123.061000 119.2
[M+HCOO]- 185.061941 147.6
[M+CH3COO]- 199.077591 171.5
[M+Na-2H]- 161.038406 132.1
[M]+ 140.06319142 123.3
[M]- 140.06428858 123.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe