CID 4363251

2'-benzoyl-2,5'-dichloroacetanilide

Structural Information

Molecular Formula
C15H11Cl2NO2
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)Cl)NC(=O)CCl
InChI
InChI=1S/C15H11Cl2NO2/c16-9-14(19)18-13-8-11(17)6-7-12(13)15(20)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)
InChIKey
CGRNPYWERJSDQS-UHFFFAOYSA-N
Compound name
N-(2-benzoyl-5-chlorophenyl)-2-chloroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.0167 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.02398 165.2
[M+Na]+ 330.00592 173.6
[M-H]- 306.00942 171.3
[M+NH4]+ 325.05052 180.9
[M+K]+ 345.97986 167.2
[M+H-H2O]+ 290.01396 159.3
[M+HCOO]- 352.01490 179.5
[M+CH3COO]- 366.03055 203.7
[M+Na-2H]- 327.99137 168.1
[M]+ 307.01615 168.6
[M]- 307.01725 168.6
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

No patent data available for this compound.