CID 306974

2'-benzoyl-2,2,2,4'-tetrachloroacetanilide

Structural Information

Molecular Formula
C15H9Cl4NO2
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)C(Cl)(Cl)Cl
InChI
InChI=1S/C15H9Cl4NO2/c16-10-6-7-12(20-14(22)15(17,18)19)11(8-10)13(21)9-4-2-1-3-5-9/h1-8H,(H,20,22)
InChIKey
YDNQWVQHOZJNLQ-UHFFFAOYSA-N
Compound name
N-(2-benzoyl-4-chlorophenyl)-2,2,2-trichloroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

21
Patents

374.93875 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.94603 176.8
[M+Na]+ 397.92797 185.0
[M-H]- 373.93147 180.3
[M+NH4]+ 392.97257 189.7
[M+K]+ 413.90191 178.4
[M+H-H2O]+ 357.93601 172.4
[M+HCOO]- 419.93695 178.6
[M+CH3COO]- 433.95260 213.3
[M+Na-2H]- 395.91342 178.0
[M]+ 374.93820 179.4
[M]- 374.93930 179.4
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