CID 89040

Plifenate

Structural Information

Molecular Formula
C10H7Cl5O2
SMILES
CC(=O)OC(C1=CC(=C(C=C1)Cl)Cl)C(Cl)(Cl)Cl
InChI
InChI=1S/C10H7Cl5O2/c1-5(16)17-9(10(13,14)15)6-2-3-7(11)8(12)4-6/h2-4,9H,1H3
InChIKey
FSGNOVKGEXRRHD-UHFFFAOYSA-N
Compound name
[2,2,2-trichloro-1-(3,4-dichlorophenyl)ethyl] acetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

3150
Patents

333.88885 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.89613 162.8
[M+Na]+ 356.87807 171.3
[M-H]- 332.88157 161.9
[M+NH4]+ 351.92267 177.1
[M+K]+ 372.85201 166.4
[M+H-H2O]+ 316.88611 160.9
[M+HCOO]- 378.88705 158.3
[M+CH3COO]- 392.90270 206.0
[M+Na-2H]- 354.86352 162.3
[M]+ 333.88830 164.5
[M]- 333.88940 164.5
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