CID 486459

2-[(4-chlorophenyl)amino]-2-(2,6-dichlorophenyl)acetamide

Structural Information

Molecular Formula
C14H11Cl3N2O
SMILES
C1=CC(=C(C(=C1)Cl)C(C(=O)N)NC2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H11Cl3N2O/c15-8-4-6-9(7-5-8)19-13(14(18)20)12-10(16)2-1-3-11(12)17/h1-7,13,19H,(H2,18,20)
InChIKey
JQWGMBWZTWUTFY-UHFFFAOYSA-N
Compound name
2-(4-chloroanilino)-2-(2,6-dichlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

327.99368 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.00096 169.8
[M+Na]+ 350.98290 178.3
[M-H]- 326.98640 174.4
[M+NH4]+ 346.02750 184.5
[M+K]+ 366.95684 171.2
[M+H-H2O]+ 310.99094 164.9
[M+HCOO]- 372.99188 179.0
[M+CH3COO]- 387.00753 210.5
[M+Na-2H]- 348.96835 170.6
[M]+ 327.99313 171.5
[M]- 327.99423 171.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe