CID 71230842

1-(4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl)ethanone

Structural Information

Molecular Formula
C15H10ClF3O2
SMILES
CC(=O)C1=C(C=C(C=C1)OC2=CC=C(C=C2)Cl)C(F)(F)F
InChI
InChI=1S/C15H10ClF3O2/c1-9(20)13-7-6-12(8-14(13)15(17,18)19)21-11-4-2-10(16)3-5-11/h2-8H,1H3
InChIKey
CSIQWPNHZNGRLC-UHFFFAOYSA-N
Compound name
1-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

84
Patents

314.03214 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.03942 163.2
[M+Na]+ 337.02136 173.6
[M-H]- 313.02486 166.6
[M+NH4]+ 332.06596 178.9
[M+K]+ 352.99530 167.9
[M+H-H2O]+ 297.02940 154.4
[M+HCOO]- 359.03034 177.6
[M+CH3COO]- 373.04599 204.1
[M+Na-2H]- 335.00681 166.0
[M]+ 314.03159 163.8
[M]- 314.03269 163.8
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

patents stripe