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

1087
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.