CID 3033555

73622-94-3

Structural Information

Molecular Formula
C8H4Cl6N2O6
SMILES
C(=C/NC(=O)OC(=O)C(Cl)(Cl)Cl)\NC(=O)OC(=O)C(Cl)(Cl)Cl
InChI
InChI=1S/C8H4Cl6N2O6/c9-7(10,11)3(17)21-5(19)15-1-2-16-6(20)22-4(18)8(12,13)14/h1-2H,(H,15,19)(H,16,20)/b2-1+
InChIKey
GXZJIIBMRRATHK-OWOJBTEDSA-N
Compound name
[(E)-2-[(2,2,2-trichloroacetyl)oxycarbonylamino]ethenyl]carbamoyl 2,2,2-trichloroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.82004 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.827316 180.3
[M+Na]+ 456.809258 184.9
[M-H]- 432.812764 176.0
[M+NH4]+ 451.853863 189.5
[M+K]+ 472.783198 182.6
[M+H-H2O]+ 416.817300 180.6
[M+HCOO]- 478.818241 171.5
[M+CH3COO]- 492.833891 218.8
[M+Na-2H]- 454.794706 178.2
[M]+ 433.81949142 179.5
[M]- 433.82058858 179.5
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.