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]+ 434.82732 180.3
[M+Na]+ 456.80926 184.9
[M-H]- 432.81276 176.0
[M+NH4]+ 451.85386 189.5
[M+K]+ 472.78320 182.6
[M+H-H2O]+ 416.81730 180.6
[M+HCOO]- 478.81824 171.5
[M+CH3COO]- 492.83389 218.8
[M+Na-2H]- 454.79471 178.2
[M]+ 433.81949 179.5
[M]- 433.82059 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.