CID 15508679

N-(4-amino-5-chloro-2-hydroxyphenyl)-3,4-dichlorobenzamide

Structural Information

Molecular Formula
C13H9Cl3N2O2
SMILES
C1=CC(=C(C=C1C(=O)NC2=C(C=C(C(=C2)Cl)N)O)Cl)Cl
InChI
InChI=1S/C13H9Cl3N2O2/c14-7-2-1-6(3-8(7)15)13(20)18-11-4-9(16)10(17)5-12(11)19/h1-5,19H,17H2,(H,18,20)
InChIKey
YEMGDMMNWKZAAS-UHFFFAOYSA-N
Compound name
N-(4-amino-5-chloro-2-hydroxyphenyl)-3,4-dichlorobenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

28
Patents

329.97296 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.980236 168.6
[M+Na]+ 352.962178 179.0
[M-H]- 328.965684 172.7
[M+NH4]+ 348.006783 183.1
[M+K]+ 368.936118 171.8
[M+H-H2O]+ 312.970220 164.5
[M+HCOO]- 374.971161 177.8
[M+CH3COO]- 388.986811 208.5
[M+Na-2H]- 350.947626 169.3
[M]+ 329.97241142 170.6
[M]- 329.97350858 170.6
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

patents stripe