CID 9946

2-fluoro-1-phenylethan-1-ol

Structural Information

Molecular Formula
C8H9FO
SMILES
C1=CC=C(C=C1)C(CF)O
InChI
InChI=1S/C8H9FO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6H2
InChIKey
FXOFPSAANUWIIM-UHFFFAOYSA-N
Compound name
2-fluoro-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

83
Patents

140.06374 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.071016 126.0
[M+Na]+ 163.052958 133.2
[M-H]- 139.056464 127.0
[M+NH4]+ 158.097563 146.8
[M+K]+ 179.026898 131.2
[M+H-H2O]+ 123.061000 120.0
[M+HCOO]- 185.061941 147.6
[M+CH3COO]- 199.077591 171.2
[M+Na-2H]- 161.038406 132.5
[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