CID 93253

50594-77-9

Structural Information

Molecular Formula
C15H10ClF3O3
SMILES
CC(=O)OC1=CC=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl
InChI
InChI=1S/C15H10ClF3O3/c1-9(20)21-11-3-2-4-12(8-11)22-14-6-5-10(7-13(14)16)15(17,18)19/h2-8H,1H3
InChIKey
KNFRYRRZMRETJX-UHFFFAOYSA-N
Compound name
[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

330.02707 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.03435 171.5
[M+Na]+ 353.01629 182.9
[M+NH4]+ 348.06089 176.8
[M+K]+ 368.99023 176.7
[M-H]- 329.01979 170.1
[M+Na-2H]- 351.00174 177.2
[M]+ 330.02652 172.9
[M]- 330.02762 172.9
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.