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

26
Patents

329.97296 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.98024 168.6
[M+Na]+ 352.96218 179.0
[M-H]- 328.96568 172.7
[M+NH4]+ 348.00678 183.1
[M+K]+ 368.93612 171.8
[M+H-H2O]+ 312.97022 164.5
[M+HCOO]- 374.97116 177.8
[M+CH3COO]- 388.98681 208.5
[M+Na-2H]- 350.94763 169.3
[M]+ 329.97241 170.6
[M]- 329.97351 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