CID 20288

Fluenetil

Structural Information

Molecular Formula
C16H15FO2
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)OCCF
InChI
InChI=1S/C16H15FO2/c17-10-11-19-16(18)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9H,10-12H2
InChIKey
XAERLJMOUYEBAB-UHFFFAOYSA-N
Compound name
2-fluoroethyl 2-(4-phenylphenyl)acetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

3855
Patents

258.10562 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.11290 158.0
[M+Na]+ 281.09484 164.7
[M-H]- 257.09834 163.0
[M+NH4]+ 276.13944 174.5
[M+K]+ 297.06878 160.9
[M+H-H2O]+ 241.10288 149.3
[M+HCOO]- 303.10382 180.3
[M+CH3COO]- 317.11947 195.2
[M+Na-2H]- 279.08029 162.4
[M]+ 258.10507 158.5
[M]- 258.10617 158.5
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