CID 68018

4-fluorophenetole

Structural Information

Molecular Formula
C8H9FO
SMILES
CCOC1=CC=C(C=C1)F
InChI
InChI=1S/C8H9FO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2H2,1H3
InChIKey
PURLWQWDGIIYBG-UHFFFAOYSA-N
Compound name
1-ethoxy-4-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

761
Patents

140.06374 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.071016 124.2
[M+Na]+ 163.052958 133.1
[M-H]- 139.056464 127.0
[M+NH4]+ 158.097563 146.2
[M+K]+ 179.026898 131.7
[M+H-H2O]+ 123.061000 118.2
[M+HCOO]- 185.061941 148.4
[M+CH3COO]- 199.077591 174.2
[M+Na-2H]- 161.038406 131.9
[M]+ 140.06319142 124.5
[M]- 140.06428858 124.5
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