CID 199723

4794-20-1

Structural Information

Molecular Formula
C11H6Cl4O3
SMILES
C1C2C(C(C1C34C2(O3)C(=O)C(=C(C4=O)Cl)Cl)Cl)Cl
InChI
InChI=1S/C11H6Cl4O3/c12-4-2-1-3(5(4)13)11-9(17)7(15)6(14)8(16)10(2,11)18-11/h2-5H,1H2
InChIKey
XDZZXKHCIOPHDV-UHFFFAOYSA-N
Compound name
3,4,8,9-tetrachloro-11-oxatetracyclo[4.4.1.12,5.01,6]dodec-8-ene-7,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

325.9071 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.91438 154.4
[M+Na]+ 348.89632 168.5
[M+NH4]+ 343.94092 166.3
[M+K]+ 364.87026 162.8
[M-H]- 324.89982 162.3
[M+Na-2H]- 346.88177 160.4
[M]+ 325.90655 160.9
[M]- 325.90765 160.9
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