CID 123066

445-26-1

Structural Information

Molecular Formula
C8H9FO
SMILES
CC(C1=CC=CC=C1F)O
InChI
InChI=1S/C8H9FO/c1-6(10)7-4-2-3-5-8(7)9/h2-6,10H,1H3
InChIKey
SXFYVXSOEBCFLV-UHFFFAOYSA-N
Compound name
1-(2-fluorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

541
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