CID 4143820

2,2-diphenyl-n-(2,2,2-trichloro-1-(3,4-dichloroanilino)ethyl)acetamide

Structural Information

Molecular Formula
C22H17Cl5N2O
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC(C(Cl)(Cl)Cl)NC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C22H17Cl5N2O/c23-17-12-11-16(13-18(17)24)28-21(22(25,26)27)29-20(30)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19,21,28H,(H,29,30)
InChIKey
DKAWBOWREVJSEQ-UHFFFAOYSA-N
Compound name
2,2-diphenyl-N-[2,2,2-trichloro-1-(3,4-dichloroanilino)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

499.97836 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.98564 206.6
[M+Na]+ 522.96758 211.2
[M-H]- 498.97108 209.5
[M+NH4]+ 518.01218 213.5
[M+K]+ 538.94152 204.5
[M+H-H2O]+ 482.97562 200.1
[M+HCOO]- 544.97656 201.9
[M+CH3COO]- 558.99221 236.6
[M+Na-2H]- 520.95303 204.6
[M]+ 499.97781 207.3
[M]- 499.97891 207.3
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.