CID 286110

1,4-methanonaphthalene-5,8-dione, 1,2,3,4-tetrachloro-1,4,4a,8a-tetrahydro-9,9-dimethoxy-

Structural Information

Molecular Formula
C13H10Cl4O4
SMILES
COC1(C2(C3C(C1(C(=C2Cl)Cl)Cl)C(=O)C=CC3=O)Cl)OC
InChI
InChI=1S/C13H10Cl4O4/c1-20-13(21-2)11(16)7-5(18)3-4-6(19)8(7)12(13,17)10(15)9(11)14/h3-4,7-8H,1-2H3
InChIKey
DCGCFQBJRLWZID-UHFFFAOYSA-N
Compound name
1,8,9,10-tetrachloro-11,11-dimethoxytricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

369.93332 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.94060 171.4
[M+Na]+ 392.92254 185.6
[M-H]- 368.92604 173.7
[M+NH4]+ 387.96714 196.6
[M+K]+ 408.89648 178.5
[M+H-H2O]+ 352.93058 172.0
[M+HCOO]- 414.93152 172.1
[M+CH3COO]- 428.94717 211.7
[M+Na-2H]- 390.90799 173.5
[M]+ 369.93277 178.3
[M]- 369.93387 178.3
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