CID 102415
3447-87-8
Structural Information
- Molecular Formula
- C9H5Cl7O2
- SMILES
- C12C(C(OC1Cl)Cl)C3(C(=O)C(C2(C3(Cl)Cl)Cl)Cl)Cl
- InChI
- InChI=1S/C9H5Cl7O2/c10-3-4(17)8(14)2-1(5(11)18-6(2)12)7(3,13)9(8,15)16/h1-3,5-6H
- InChIKey
- KPHDFTRBKVDNNB-UHFFFAOYSA-N
- Compound name
- 1,3,5,7,9,10,10-heptachloro-4-oxatricyclo[5.2.1.02,6]decan-8-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 390.81818 | 191.1 |
[M+Na]+ | 412.80012 | 199.8 |
[M-H]- | 388.80362 | 186.3 |
[M+NH4]+ | 407.84472 | 209.2 |
[M+K]+ | 428.77406 | 195.5 |
[M+H-H2O]+ | 372.80816 | 190.9 |
[M+HCOO]- | 434.80910 | 175.1 |
[M+CH3COO]- | 448.82475 | 195.4 |
[M+Na-2H]- | 410.78557 | 184.7 |
[M]+ | 389.81035 | 184.6 |
[M]- | 389.81145 | 184.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.