CID 71776101
Tricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaene, tetrachloro-
Structural Information
- Molecular Formula
- C16H12Cl4
- SMILES
- C1CC2=C(C(=C(CCC3=C(C(=C1C=C3)Cl)Cl)C=C2)Cl)Cl
- InChI
- InChI=1S/C16H12Cl4/c17-13-9-1-2-10(14(13)18)7-8-12-4-3-11(6-5-9)15(19)16(12)20/h1-4H,5-8H2
- InChIKey
- QYFSCKPZVYAASR-UHFFFAOYSA-N
- Compound name
- 5,6,11,12-tetrachlorotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 344.97658 | 190.0 |
[M+Na]+ | 366.95852 | 194.5 |
[M-H]- | 342.96202 | 171.8 |
[M+NH4]+ | 362.00312 | 202.4 |
[M+K]+ | 382.93246 | 192.8 |
[M+H-H2O]+ | 326.96656 | 195.9 |
[M+HCOO]- | 388.96750 | 178.0 |
[M+CH3COO]- | 402.98315 | 191.7 |
[M+Na-2H]- | 364.94397 | 193.3 |
[M]+ | 343.96875 | 190.8 |
[M]- | 343.96985 | 190.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.