CID 38446
2,2',3,3',4,4',5,6'-octachlorodiphenyl ether
Structural Information
- Molecular Formula
- C12H2Cl8O
- SMILES
- C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)OC2=C(C(=C(C=C2Cl)Cl)Cl)Cl
- InChI
- InChI=1S/C12H2Cl8O/c13-3-1-5(15)12(11(20)8(3)17)21-6-2-4(14)7(16)10(19)9(6)18/h1-2H
- InChIKey
- HYNYIQBCBHJTOZ-UHFFFAOYSA-N
- Compound name
- 1,2,3,4-tetrachloro-5-(2,3,4,6-tetrachlorophenoxy)benzene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 442.76866 | 194.7 |
[M+Na]+ | 464.75060 | 201.5 |
[M-H]- | 440.75410 | 188.3 |
[M+NH4]+ | 459.79520 | 201.4 |
[M+K]+ | 480.72454 | 200.0 |
[M+H-H2O]+ | 424.75864 | 191.0 |
[M+HCOO]- | 486.75958 | 177.9 |
[M+CH3COO]- | 500.77523 | 196.7 |
[M+Na-2H]- | 462.73605 | 185.9 |
[M]+ | 441.76083 | 188.1 |
[M]- | 441.76193 | 188.1 |
Literature stripe
No literature data available for this compound.