CID 77772

Dichloroacetic anhydride

Structural Information

Molecular Formula
C4H2Cl4O3
SMILES
C(C(=O)OC(=O)C(Cl)Cl)(Cl)Cl
InChI
InChI=1S/C4H2Cl4O3/c5-1(6)3(9)11-4(10)2(7)8/h1-2H
InChIKey
RQHMQURGSQBBJY-UHFFFAOYSA-N
Compound name
(2,2-dichloroacetyl) 2,2-dichloroacetate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

6
References

1838
Patents

237.87581 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.88309 134.8
[M+Na]+ 260.86503 143.2
[M-H]- 236.86853 133.0
[M+NH4]+ 255.90963 153.0
[M+K]+ 276.83897 139.8
[M+H-H2O]+ 220.87307 134.5
[M+HCOO]- 282.87401 136.6
[M+CH3COO]- 296.88966 188.3
[M+Na-2H]- 258.85048 135.4
[M]+ 237.87526 137.4
[M]- 237.87636 137.4
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