CID 306483

4-chloro-n-(3,4-dichlorophenyl)benzamide

Structural Information

Molecular Formula
C13H8Cl3NO
SMILES
C1=CC(=CC=C1C(=O)NC2=CC(=C(C=C2)Cl)Cl)Cl
InChI
InChI=1S/C13H8Cl3NO/c14-9-3-1-8(2-4-9)13(18)17-10-5-6-11(15)12(16)7-10/h1-7H,(H,17,18)
InChIKey
ZUKGOIHTIKKVBD-UHFFFAOYSA-N
Compound name
4-chloro-N-(3,4-dichlorophenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

298.96713 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.97441 162.6
[M+Na]+ 321.95635 179.1
[M+NH4]+ 317.00095 172.0
[M+K]+ 337.93029 169.6
[M-H]- 297.95985 167.4
[M+Na-2H]- 319.94180 172.0
[M]+ 298.96658 167.4
[M]- 298.96768 167.4
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