CID 3056259

N,n',n',n''-diethylenetris(2,2,2-trichloroacetamide)

Structural Information

Molecular Formula
C10H10Cl9N3O3
SMILES
C(CN(CCNC(=O)C(Cl)(Cl)Cl)C(=O)C(Cl)(Cl)Cl)NC(=O)C(Cl)(Cl)Cl
InChI
InChI=1S/C10H10Cl9N3O3/c11-8(12,13)5(23)20-1-3-22(7(25)10(17,18)19)4-2-21-6(24)9(14,15)16/h1-4H2,(H,20,23)(H,21,24)
InChIKey
RMGCQGQQDYIUPQ-UHFFFAOYSA-N
Compound name
2,2,2-trichloro-N-[2-[(2,2,2-trichloroacetyl)-[2-[(2,2,2-trichloroacetyl)amino]ethyl]amino]ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

534.7919 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.79918 229.9
[M+Na]+ 557.78112 232.9
[M+NH4]+ 552.82572 230.6
[M+K]+ 573.75506 227.4
[M-H]- 533.78462 224.7
[M+Na-2H]- 555.76657 225.8
[M]+ 534.79135 229.7
[M]- 534.79245 229.7
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.