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 223.9
[M+Na]+ 557.78112 222.3
[M-H]- 533.78462 213.6
[M+NH4]+ 552.82572 225.9
[M+K]+ 573.75506 223.2
[M+H-H2O]+ 517.78916 221.7
[M+HCOO]- 579.79010 201.9
[M+CH3COO]- 593.80575 240.3
[M+Na-2H]- 555.76657 213.5
[M]+ 534.79135 211.5
[M]- 534.79245 211.5
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.