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 163.0
[M+Na]+ 348.89632 176.5
[M-H]- 324.89982 167.2
[M+NH4]+ 343.94092 181.5
[M+K]+ 364.87026 170.6
[M+H-H2O]+ 308.90436 162.5
[M+HCOO]- 370.90530 160.8
[M+CH3COO]- 384.92095 173.7
[M+Na-2H]- 346.88177 163.6
[M]+ 325.90655 168.9
[M]- 325.90765 168.9
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