CID 721113

N-(3-aminophenyl)-2,4-dichlorobenzamide

Structural Information

Molecular Formula
C13H10Cl2N2O
SMILES
C1=CC(=CC(=C1)NC(=O)C2=C(C=C(C=C2)Cl)Cl)N
InChI
InChI=1S/C13H10Cl2N2O/c14-8-4-5-11(12(15)6-8)13(18)17-10-3-1-2-9(16)7-10/h1-7H,16H2,(H,17,18)
InChIKey
YDWMXPAZFFSOJJ-UHFFFAOYSA-N
Compound name
N-(3-aminophenyl)-2,4-dichlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

280.01703 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.024306 160.2
[M+Na]+ 303.006248 169.6
[M-H]- 279.009754 166.2
[M+NH4]+ 298.050853 176.9
[M+K]+ 318.980188 162.8
[M+H-H2O]+ 263.014290 154.6
[M+HCOO]- 325.015231 176.1
[M+CH3COO]- 339.030881 201.3
[M+Na-2H]- 300.991696 163.7
[M]+ 280.01648142 161.4
[M]- 280.01757858 161.4
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