CID 175018
72275-99-1
Structural Information
- Molecular Formula
- C25H36Cl6O4
- SMILES
- CC(C)CCCCCOC(=O)C1C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)OCCCCCC(C)C
- InChI
- InChI=1S/C25H36Cl6O4/c1-15(2)11-7-5-9-13-34-21(32)17-18(22(33)35-14-10-6-8-12-16(3)4)24(29)20(27)19(26)23(17,28)25(24,30)31/h15-18H,5-14H2,1-4H3
- InChIKey
- PPPFEHOBEANLBD-UHFFFAOYSA-N
- Compound name
- bis(6-methylheptyl) 1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 611.08174 | 226.3 |
[M+Na]+ | 633.06368 | 231.5 |
[M-H]- | 609.06718 | 222.5 |
[M+NH4]+ | 628.10828 | 239.4 |
[M+K]+ | 649.03762 | 225.2 |
[M+H-H2O]+ | 593.07172 | 227.5 |
[M+HCOO]- | 655.07266 | 212.5 |
[M+CH3COO]- | 669.08831 | 251.0 |
[M+Na-2H]- | 631.04913 | 216.5 |
[M]+ | 610.07391 | 231.5 |
[M]- | 610.07501 | 231.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.