CID 5130292

301816-62-6

Structural Information

Molecular Formula
C16H14Cl4N2O
SMILES
C1=CC=C(C=C1)CC(=O)NC(C(Cl)(Cl)Cl)NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C16H14Cl4N2O/c17-12-7-4-8-13(10-12)21-15(16(18,19)20)22-14(23)9-11-5-2-1-3-6-11/h1-8,10,15,21H,9H2,(H,22,23)
InChIKey
IDAWYKYWKUWUKJ-UHFFFAOYSA-N
Compound name
2-phenyl-N-[2,2,2-trichloro-1-(3-chloroanilino)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.98602 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.99330 184.6
[M+Na]+ 412.97524 190.6
[M-H]- 388.97874 187.3
[M+NH4]+ 408.01984 196.4
[M+K]+ 428.94918 183.6
[M+H-H2O]+ 372.98328 179.5
[M+HCOO]- 434.98422 186.7
[M+CH3COO]- 448.99987 218.4
[M+Na-2H]- 410.96069 186.0
[M]+ 389.98547 186.0
[M]- 389.98657 186.0
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.