CID 486458

Chembl72857

Structural Information

Molecular Formula
C14H11Cl3N2O
SMILES
C1=CC=C(C(=C1)NC(C2=C(C=CC=C2Cl)Cl)C(=O)N)Cl
InChI
InChI=1S/C14H11Cl3N2O/c15-8-4-1-2-7-11(8)19-13(14(18)20)12-9(16)5-3-6-10(12)17/h1-7,13,19H,(H2,18,20)
InChIKey
CFHOQWJSPLGOOG-UHFFFAOYSA-N
Compound name
2-(2-chloroanilino)-2-(2,6-dichlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
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

No patent data available for this compound.