CID 93266
7,8-dibromo-1,2,3,4,11,11-hexachloro-1,4,4a,5,6,7,8,9,10,10a-decahydro-1,4-methanobenzocyclooctene
Structural Information
- Molecular Formula
- C13H12Br2Cl6
- SMILES
- C1CC(C(CCC2C1C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Br)Br
- InChI
- InChI=1S/C13H12Br2Cl6/c14-7-3-1-5-6(2-4-8(7)15)12(19)10(17)9(16)11(5,18)13(12,20)21/h5-8H,1-4H2
- InChIKey
- XRFONNJUMOCNHA-UHFFFAOYSA-N
- Compound name
- 5,6-dibromo-1,10,11,12,13,13-hexachlorotricyclo[8.2.1.02,9]tridec-11-ene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 536.75098 | 190.6 |
[M+Na]+ | 558.73292 | 197.3 |
[M-H]- | 534.73642 | 191.2 |
[M+NH4]+ | 553.77752 | 198.6 |
[M+K]+ | 574.70686 | 190.1 |
[M+H-H2O]+ | 518.74096 | 193.3 |
[M+HCOO]- | 580.74190 | 184.7 |
[M+CH3COO]- | 594.75755 | 191.9 |
[M+Na-2H]- | 556.71837 | 185.5 |
[M]+ | 535.74315 | 199.9 |
[M]- | 535.74425 | 199.9 |
Literature stripe
No literature data available for this compound.