CID 95953

15743-13-2

Structural Information

Molecular Formula
C5Cl4O2
SMILES
C1(=C(C(=O)C(C1=O)(Cl)Cl)Cl)Cl
InChI
InChI=1S/C5Cl4O2/c6-1-2(7)4(11)5(8,9)3(1)10
InChIKey
QXHDKANPDPYPIC-UHFFFAOYSA-N
Compound name
2,2,4,5-tetrachlorocyclopent-4-ene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.86523 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.87251 137.9
[M+Na]+ 254.85445 150.8
[M-H]- 230.85795 139.4
[M+NH4]+ 249.89905 160.3
[M+K]+ 270.82839 145.0
[M+H-H2O]+ 214.86249 137.5
[M+HCOO]- 276.86343 142.7
[M+CH3COO]- 290.87908 187.1
[M+Na-2H]- 252.83990 139.8
[M]+ 231.86468 139.8
[M]- 231.86578 139.8
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

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