CID 790308

3,4-dichloro-n-(2,6-dichlorophenyl)benzamide

Structural Information

Molecular Formula
C13H7Cl4NO
SMILES
C1=CC(=C(C(=C1)Cl)NC(=O)C2=CC(=C(C=C2)Cl)Cl)Cl
InChI
InChI=1S/C13H7Cl4NO/c14-8-5-4-7(6-11(8)17)13(19)18-12-9(15)2-1-3-10(12)16/h1-6H,(H,18,19)
InChIKey
NZSOXPDHNQMIHW-UHFFFAOYSA-N
Compound name
3,4-dichloro-N-(2,6-dichlorophenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

332.92816 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.93544 166.9
[M+Na]+ 355.91738 177.2
[M-H]- 331.92088 170.4
[M+NH4]+ 350.96198 181.8
[M+K]+ 371.89132 170.1
[M+H-H2O]+ 315.92542 162.8
[M+HCOO]- 377.92636 171.1
[M+CH3COO]- 391.94201 208.4
[M+Na-2H]- 353.90283 167.9
[M]+ 332.92761 169.6
[M]- 332.92871 169.6
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