CID 347060

2,4,4'-trichlorobenzanilide

Structural Information

Molecular Formula
C13H8Cl3NO
SMILES
C1=CC(=CC=C1NC(=O)C2=C(C=C(C=C2)Cl)Cl)Cl
InChI
InChI=1S/C13H8Cl3NO/c14-8-1-4-10(5-2-8)17-13(18)11-6-3-9(15)7-12(11)16/h1-7H,(H,17,18)
InChIKey
YKYNQSLLCKORDX-UHFFFAOYSA-N
Compound name
2,4-dichloro-N-(4-chlorophenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 160.6
[M+Na]+ 321.95635 170.7
[M-H]- 297.95985 165.7
[M+NH4]+ 317.00095 177.1
[M+K]+ 337.93029 163.6
[M+H-H2O]+ 281.96439 155.8
[M+HCOO]- 343.96533 170.5
[M+CH3COO]- 357.98098 202.0
[M+Na-2H]- 319.94180 163.7
[M]+ 298.96658 163.7
[M]- 298.96768 163.7
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.