CID 4678091

Bis(2,2,2-trichloroethyl) azodicarboxylate

Structural Information

Molecular Formula
C6H4Cl6N2O4
SMILES
C(C(Cl)(Cl)Cl)OC(=O)N=NC(=O)OCC(Cl)(Cl)Cl
InChI
InChI=1S/C6H4Cl6N2O4/c7-5(8,9)1-17-3(15)13-14-4(16)18-2-6(10,11)12/h1-2H2
InChIKey
LIEOEYTUTSDYKB-UHFFFAOYSA-N
Compound name
2,2,2-trichloroethyl N-(2,2,2-trichloroethoxycarbonylimino)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

306
Patents

377.83023 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.83751 179.3
[M+Na]+ 400.81945 185.0
[M-H]- 376.82295 176.3
[M+NH4]+ 395.86405 191.1
[M+K]+ 416.79339 183.1
[M+H-H2O]+ 360.82749 177.8
[M+HCOO]- 422.82843 173.1
[M+CH3COO]- 436.84408 215.7
[M+Na-2H]- 398.80490 178.9
[M]+ 377.82968 179.8
[M]- 377.83078 179.8
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

patents stripe