CID 10139

Fluorogesarol

Structural Information

Molecular Formula
C14H9Cl3F2
SMILES
C1=CC(=CC=C1C(C2=CC=C(C=C2)F)C(Cl)(Cl)Cl)F
InChI
InChI=1S/C14H9Cl3F2/c15-14(16,17)13(9-1-5-11(18)6-2-9)10-3-7-12(19)8-4-10/h1-8,13H
InChIKey
CLSXNIPAOWPLFR-UHFFFAOYSA-N
Compound name
1-fluoro-4-[2,2,2-trichloro-1-(4-fluorophenyl)ethyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1063
Patents

319.9738 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.98108 161.5
[M+Na]+ 342.96302 171.5
[M-H]- 318.96652 163.9
[M+NH4]+ 338.00762 177.3
[M+K]+ 358.93696 163.6
[M+H-H2O]+ 302.97106 154.9
[M+HCOO]- 364.97200 166.2
[M+CH3COO]- 378.98765 203.5
[M+Na-2H]- 340.94847 164.2
[M]+ 319.97325 162.2
[M]- 319.97435 162.2
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