CID 3281338

2,2-diphenyl-n-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]acetamide

Structural Information

Molecular Formula
C22H17Cl4NO2
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC(C(Cl)(Cl)Cl)OC3=CC=C(C=C3)Cl
InChI
InChI=1S/C22H17Cl4NO2/c23-17-11-13-18(14-12-17)29-21(22(24,25)26)27-20(28)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19,21H,(H,27,28)
InChIKey
VUFBRXYYLQIVNN-UHFFFAOYSA-N
Compound name
2,2-diphenyl-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.00134 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.00862 199.6
[M+Na]+ 489.99056 204.8
[M-H]- 465.99406 204.8
[M+NH4]+ 485.03516 208.2
[M+K]+ 505.96450 197.9
[M+H-H2O]+ 449.99860 192.6
[M+HCOO]- 511.99954 199.5
[M+CH3COO]- 526.01519 228.8
[M+Na-2H]- 487.97601 199.6
[M]+ 467.00079 202.9
[M]- 467.00189 202.9
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.