CID 17284

Tca-ethadyl

Structural Information

Molecular Formula
C6H4Cl6O4
SMILES
C(COC(=O)C(Cl)(Cl)Cl)OC(=O)C(Cl)(Cl)Cl
InChI
InChI=1S/C6H4Cl6O4/c7-5(8,9)3(13)15-1-2-16-4(14)6(10,11)12/h1-2H2
InChIKey
SSDZRWBPFCFZGB-UHFFFAOYSA-N
Compound name
2-(2,2,2-trichloroacetyl)oxyethyl 2,2,2-trichloroacetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

936
Patents

349.82407 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.83135 165.9
[M+Na]+ 372.81329 172.2
[M-H]- 348.81679 160.9
[M+NH4]+ 367.85789 178.1
[M+K]+ 388.78723 169.3
[M+H-H2O]+ 332.82133 165.6
[M+HCOO]- 394.82227 155.7
[M+CH3COO]- 408.83792 206.1
[M+Na-2H]- 370.79874 165.2
[M]+ 349.82352 165.3
[M]- 349.82462 165.3
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

patents stripe