CID 75643

2514-52-5

Structural Information

Molecular Formula
C5Cl6O
SMILES
C1(=C(C(C(C1=O)(Cl)Cl)(Cl)Cl)Cl)Cl
InChI
InChI=1S/C5Cl6O/c6-1-2(7)4(8,9)5(10,11)3(1)12
InChIKey
QFIIFFRWCNYRLM-UHFFFAOYSA-N
Compound name
2,3,4,4,5,5-hexachlorocyclopent-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

52
Patents

285.80804 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.815316 153.1
[M+Na]+ 308.797258 163.1
[M-H]- 284.800764 150.1
[M+NH4]+ 303.841863 171.8
[M+K]+ 324.771198 158.2
[M+H-H2O]+ 268.805300 153.1
[M+HCOO]- 330.806241 146.3
[M+CH3COO]- 344.821891 199.7
[M+Na-2H]- 306.782706 151.8
[M]+ 285.80749142 149.1
[M]- 285.80858858 149.1
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