CID 73946

1-(4-fluorophenyl)ethanol

Structural Information

Molecular Formula
C8H9FO
SMILES
CC(C1=CC=C(C=C1)F)O
InChI
InChI=1S/C8H9FO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3
InChIKey
PSDSORRYQPTKSV-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

1032
Patents

140.06374 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.071016 125.3
[M+Na]+ 163.052958 133.4
[M-H]- 139.056464 126.7
[M+NH4]+ 158.097563 146.5
[M+K]+ 179.026898 131.5
[M+H-H2O]+ 123.061000 119.5
[M+HCOO]- 185.061941 146.9
[M+CH3COO]- 199.077591 172.3
[M+Na-2H]- 161.038406 131.1
[M]+ 140.06319142 123.0
[M]- 140.06428858 123.0
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