CID 14385

3,3',4',5-tetrachlorosalicylanilide

Structural Information

Molecular Formula
C13H7Cl4NO2
SMILES
C1=CC(=C(C=C1NC(=O)C2=C(C(=CC(=C2)Cl)Cl)O)Cl)Cl
InChI
InChI=1S/C13H7Cl4NO2/c14-6-3-8(12(19)11(17)4-6)13(20)18-7-1-2-9(15)10(16)5-7/h1-5,19H,(H,18,20)
InChIKey
SJQBHPJLLIJASD-UHFFFAOYSA-N
Compound name
3,5-dichloro-N-(3,4-dichlorophenyl)-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

166
References

634
Patents

348.9231 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.93038 168.1
[M+Na]+ 371.91232 178.8
[M-H]- 347.91582 171.0
[M+NH4]+ 366.95692 182.1
[M+K]+ 387.88626 171.8
[M+H-H2O]+ 331.92036 164.8
[M+HCOO]- 393.92130 171.4
[M+CH3COO]- 407.93695 209.3
[M+Na-2H]- 369.89777 168.3
[M]+ 348.92255 171.0
[M]- 348.92365 171.0
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