CID 20079

Trichloroacetic anhydride

Structural Information

Molecular Formula
C4Cl6O3
SMILES
C(=O)(C(Cl)(Cl)Cl)OC(=O)C(Cl)(Cl)Cl
InChI
InChI=1S/C4Cl6O3/c5-3(6,7)1(11)13-2(12)4(8,9)10
InChIKey
MEFKFJOEVLUFAY-UHFFFAOYSA-N
Compound name
(2,2,2-trichloroacetyl) 2,2,2-trichloroacetate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

5
References

4071
Patents

305.79785 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.80513 157.0
[M+Na]+ 328.78707 163.9
[M-H]- 304.79057 152.0
[M+NH4]+ 323.83167 170.5
[M+K]+ 344.76101 160.9
[M+H-H2O]+ 288.79511 156.9
[M+HCOO]- 350.79605 146.9
[M+CH3COO]- 364.81170 199.8
[M+Na-2H]- 326.77252 156.8
[M]+ 305.79730 154.4
[M]- 305.79840 154.4
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