CID 75124212
1alpha,2,4beta,5,6,7beta,8,8-octachloro-3aalpha,4,7,7aalpha-tetrahydro-4,7-methanoindene
Structural Information
- Molecular Formula
- C10H4Cl8
- SMILES
- C1=C([C@@H]([C@@H]2[C@H]1[C@@]3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl
- InChI
- InChI=1S/C10H4Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h1-2,4-5H/t2-,4-,5-,8-,9?/m0/s1
- InChIKey
- MXWWQTOZVNNERA-FPLZKDNJSA-N
- Compound name
- (1S,2S,5R,6S)-1,4,5,7,8,9,10,10-octachlorotricyclo[5.2.1.02,6]deca-3,8-diene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 404.78942 | 203.6 |
[M+Na]+ | 426.77136 | 211.4 |
[M-H]- | 402.77486 | 196.0 |
[M+NH4]+ | 421.81596 | 219.6 |
[M+K]+ | 442.74530 | 206.8 |
[M+H-H2O]+ | 386.77940 | 201.4 |
[M+HCOO]- | 448.78034 | 185.5 |
[M+CH3COO]- | 462.79599 | 205.4 |
[M+Na-2H]- | 424.75681 | 194.2 |
[M]+ | 403.78159 | 193.8 |
[M]- | 403.78269 | 193.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.