CID 101689439
154159-06-5
Structural Information
- Molecular Formula
- C10H9Cl9
- SMILES
- C1[C@H]2[C@@]([C@@](C1(Cl)Cl)(CC2(Cl)Cl)C(Cl)Cl)(CCl)C(Cl)Cl
- InChI
- InChI=1S/C10H9Cl9/c11-3-7(5(12)13)4-1-10(18,19)8(7,6(14)15)2-9(4,16)17/h4-6H,1-3H2/t4-,7-,8+/m0/s1
- InChIKey
- QBYUXOGVJMFMHR-ZQASAOEGSA-N
- Compound name
- (1S,4S,7R)-2,2,5,5-tetrachloro-7-(chloromethyl)-1,7-bis(dichloromethyl)bicyclo[2.2.1]heptane
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 444.79738 | 203.7 |
[M+Na]+ | 466.77932 | 206.1 |
[M-H]- | 442.78282 | 193.0 |
[M+NH4]+ | 461.82392 | 215.1 |
[M+K]+ | 482.75326 | 203.9 |
[M+H-H2O]+ | 426.78736 | 202.0 |
[M+HCOO]- | 488.78830 | 180.6 |
[M+CH3COO]- | 502.80395 | 202.2 |
[M+Na-2H]- | 464.76477 | 193.1 |
[M]+ | 443.78955 | 188.6 |
[M]- | 443.79065 | 188.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.