CID 37270

35822-46-9

Structural Information

Molecular Formula
C12HCl7O2
SMILES
C1=C2C(=C(C(=C1Cl)Cl)Cl)OC3=C(O2)C(=C(C(=C3Cl)Cl)Cl)Cl
InChI
InChI=1S/C12HCl7O2/c13-2-1-3-10(7(17)4(2)14)21-12-9(19)6(16)5(15)8(18)11(12)20-3/h1H
InChIKey
WCLNVRQZUKYVAI-UHFFFAOYSA-N
Compound name
1,2,3,4,6,7,8-heptachlorodibenzo-p-dioxin
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

62
References

362
Patents

421.77963 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.78691 199.0
[M+Na]+ 444.76885 213.5
[M+NH4]+ 439.81345 205.7
[M+K]+ 460.74279 203.8
[M-H]- 420.77235 201.1
[M+Na-2H]- 442.75430 200.6
[M]+ 421.77908 203.3
[M]- 421.78018 203.3
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