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

1
Patents

280.01703 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.02431 160.0
[M+Na]+ 303.00625 175.0
[M+NH4]+ 298.05085 169.0
[M+K]+ 318.98019 166.6
[M-H]- 279.00975 165.4
[M+Na-2H]- 300.99170 169.1
[M]+ 280.01648 164.3
[M]- 280.01758 164.3
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