CID 70560247

4-(2-fluoroethyl)phenol

Structural Information

Molecular Formula
C8H9FO
SMILES
C1=CC(=CC=C1CCF)O
InChI
InChI=1S/C8H9FO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6H2
InChIKey
HNNRHJYVBGELFO-UHFFFAOYSA-N
Compound name
4-(2-fluoroethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

140.06374 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.07102 125.0
[M+Na]+ 163.05296 133.4
[M-H]- 139.05646 126.3
[M+NH4]+ 158.09756 146.2
[M+K]+ 179.02690 131.0
[M+H-H2O]+ 123.06100 119.2
[M+HCOO]- 185.06194 147.6
[M+CH3COO]- 199.07759 171.5
[M+Na-2H]- 161.03841 132.1
[M]+ 140.06319 123.3
[M]- 140.06429 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

No literature data available for this compound.

Patent stripe

patents stripe