CID 28524

17408-50-3

Structural Information

Molecular Formula
C6H6Cl6N2O2
SMILES
C(CNC(=O)C(Cl)(Cl)Cl)NC(=O)C(Cl)(Cl)Cl
InChI
InChI=1S/C6H6Cl6N2O2/c7-5(8,9)3(15)13-1-2-14-4(16)6(10,11)12/h1-2H2,(H,13,15)(H,14,16)
InChIKey
RWNYTJHBXNDUAB-UHFFFAOYSA-N
Compound name
2,2,2-trichloro-N-[2-[(2,2,2-trichloroacetyl)amino]ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.85605 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.86333 175.1
[M+Na]+ 370.84527 179.7
[M-H]- 346.84877 169.4
[M+NH4]+ 365.88987 186.6
[M+K]+ 386.81921 175.9
[M+H-H2O]+ 330.85331 174.2
[M+HCOO]- 392.85425 165.8
[M+CH3COO]- 406.86990 210.7
[M+Na-2H]- 368.83072 173.5
[M]+ 347.85550 170.8
[M]- 347.85660 170.8
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.