CID 18711649

5-ethyl-2-fluorophenol

Structural Information

Molecular Formula
C8H9FO
SMILES
CCC1=CC(=C(C=C1)F)O
InChI
InChI=1S/C8H9FO/c1-2-6-3-4-7(9)8(10)5-6/h3-5,10H,2H2,1H3
InChIKey
MHGSGAMJZBVTNG-UHFFFAOYSA-N
Compound name
5-ethyl-2-fluorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

180
Patents

140.06374 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.071016 124.3
[M+Na]+ 163.052958 133.7
[M-H]- 139.056464 126.1
[M+NH4]+ 158.097563 145.9
[M+K]+ 179.026898 131.3
[M+H-H2O]+ 123.061000 118.8
[M+HCOO]- 185.061941 147.0
[M+CH3COO]- 199.077591 172.6
[M+Na-2H]- 161.038406 130.8
[M]+ 140.06319142 123.1
[M]- 140.06428858 123.1
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