CID 8265

Chlorendic anhydride

Structural Information

Molecular Formula
C9H2Cl6O3
SMILES
C12C(C(=O)OC1=O)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C9H2Cl6O3/c10-3-4(11)8(13)2-1(5(16)18-6(2)17)7(3,12)9(8,14)15/h1-2H
InChIKey
FLBJFXNAEMSXGL-UHFFFAOYSA-N
Compound name
1,7,8,9,10,10-hexachloro-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

4
References

11562
Patents

367.8135 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.82078 178.9
[M+Na]+ 390.80272 190.8
[M-H]- 366.80622 177.4
[M+NH4]+ 385.84732 200.3
[M+K]+ 406.77666 185.4
[M+H-H2O]+ 350.81076 179.9
[M+HCOO]- 412.81170 169.2
[M+CH3COO]- 426.82735 186.6
[M+Na-2H]- 388.78817 176.2
[M]+ 367.81295 178.1
[M]- 367.81405 178.1
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