CID 3638086

2',4',6'-trichlorobenzanilide

Structural Information

Molecular Formula
C13H8Cl3NO
SMILES
C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2Cl)Cl)Cl
InChI
InChI=1S/C13H8Cl3NO/c14-9-6-10(15)12(11(16)7-9)17-13(18)8-4-2-1-3-5-8/h1-7H,(H,17,18)
InChIKey
RQJCQDLMPOUCPL-UHFFFAOYSA-N
Compound name
N-(2,4,6-trichlorophenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.96713 Da
Monoisotopic Mass

4.6
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.