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 189.9
[M+Na]+ 456.80926 195.2
[M+NH4]+ 451.85386 191.7
[M+K]+ 472.78320 192.3
[M-H]- 432.81276 183.9
[M+Na-2H]- 454.79471 188.2
[M]+ 433.81949 189.6
[M]- 433.82059 189.6
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.