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

30
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 194.0
[M+Na]+ 477.04110 201.7
[M-H]- 453.04460 193.2
[M+NH4]+ 472.08570 203.0
[M+K]+ 493.01504 196.0
[M+H-H2O]+ 437.04914 182.0
[M+HCOO]- 499.05008 203.2
[M+CH3COO]- 513.06573 232.6
[M+Na-2H]- 475.02655 193.5
[M]+ 454.05133 189.6
[M]- 454.05243 189.6
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.