CID 2726015

Ccg-1423

Structural Information

Molecular Formula
C18H13ClF6N2O3
SMILES
CC(C(=O)NC1=CC=C(C=C1)Cl)ONC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C18H13ClF6N2O3/c1-9(15(28)26-14-4-2-13(19)3-5-14)30-27-16(29)10-6-11(17(20,21)22)8-12(7-10)18(23,24)25/h2-9H,1H3,(H,26,28)(H,27,29)
InChIKey
DSMXVSGJIDFLKP-UHFFFAOYSA-N
Compound name
N-[1-(4-chloroanilino)-1-oxopropan-2-yl]oxy-3,5-bis(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

32
References

39
Patents

454.05188 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.05916 193.5
[M+Na]+ 477.04110 197.0
[M+NH4]+ 472.08570 193.8
[M+K]+ 493.01504 194.0
[M-H]- 453.04460 187.7
[M+Na-2H]- 475.02655 194.0
[M]+ 454.05133 191.9
[M]- 454.05243 191.9
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