CID 3570460

2,2-diphenyl-n-(2,2,2-trichloro-1-(4-fluoroanilino)ethyl)acetamide

Structural Information

Molecular Formula
C22H18Cl3FN2O
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC(C(Cl)(Cl)Cl)NC3=CC=C(C=C3)F
InChI
InChI=1S/C22H18Cl3FN2O/c23-22(24,25)21(27-18-13-11-17(26)12-14-18)28-20(29)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19,21,27H,(H,28,29)
InChIKey
ZWAFBAGOQKQLJM-UHFFFAOYSA-N
Compound name
2,2-diphenyl-N-[2,2,2-trichloro-1-(4-fluoroanilino)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.04688 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.05416 198.9
[M+Na]+ 473.03610 203.9
[M-H]- 449.03960 204.3
[M+NH4]+ 468.08070 208.0
[M+K]+ 489.01004 195.8
[M+H-H2O]+ 433.04414 190.5
[M+HCOO]- 495.04508 204.0
[M+CH3COO]- 509.06073 229.8
[M+Na-2H]- 471.02155 200.0
[M]+ 450.04633 199.8
[M]- 450.04743 199.8
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

No patent data available for this compound.