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 166.5
[M+Na]+ 353.01629 176.9
[M-H]- 329.01979 169.9
[M+NH4]+ 348.06089 181.6
[M+K]+ 368.99023 171.8
[M+H-H2O]+ 313.02433 157.5
[M+HCOO]- 375.02527 181.1
[M+CH3COO]- 389.04092 205.5
[M+Na-2H]- 351.00174 169.4
[M]+ 330.02652 168.5
[M]- 330.02762 168.5
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.