CID 36728

Acetamide, n,n'-p-phenylenebis(2,2-dichloro-n-methyl-

Structural Information

Molecular Formula
C12H12Cl4N2O2
SMILES
CN(C1=CC=C(C=C1)N(C)C(=O)C(Cl)Cl)C(=O)C(Cl)Cl
InChI
InChI=1S/C12H12Cl4N2O2/c1-17(11(19)9(13)14)7-3-5-8(6-4-7)18(2)12(20)10(15)16/h3-6,9-10H,1-2H3
InChIKey
GRZCKYLHMGIXJK-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-[4-[(2,2-dichloroacetyl)-methylamino]phenyl]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.9653 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.97258 171.0
[M+Na]+ 378.95452 177.2
[M-H]- 354.95802 174.2
[M+NH4]+ 373.99912 185.5
[M+K]+ 394.92846 174.0
[M+H-H2O]+ 338.96256 167.8
[M+HCOO]- 400.96350 174.6
[M+CH3COO]- 414.97915 220.1
[M+Na-2H]- 376.93997 168.4
[M]+ 355.96475 175.7
[M]- 355.96585 175.7
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.