CID 12335729
Rac-(1r,3r,4r,6s)-3,4,7,7-tetrabromobicyclo[4.1.0]heptane
Structural Information
- Molecular Formula
- C7H8Br4
- SMILES
- C1[C@@H]2[C@@H](C2(Br)Br)C[C@H]([C@@H]1Br)Br
- InChI
- InChI=1S/C7H8Br4/c8-5-1-3-4(2-6(5)9)7(3,10)11/h3-6H,1-2H2/t3-,4+,5-,6-/m1/s1
- InChIKey
- LPUSFNNWTPCHBJ-JGWLITMVSA-N
- Compound name
- (1R,3R,4R,6S)-3,4,7,7-tetrabromobicyclo[4.1.0]heptane
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 408.74324 | 156.1 |
[M+Na]+ | 430.72518 | 163.8 |
[M-H]- | 406.72868 | 161.1 |
[M+NH4]+ | 425.76978 | 166.5 |
[M+K]+ | 446.69912 | 150.8 |
[M+H-H2O]+ | 390.73322 | 174.1 |
[M+HCOO]- | 452.73416 | 160.9 |
[M+CH3COO]- | 466.74981 | 235.0 |
[M+Na-2H]- | 428.71063 | 158.7 |
[M]+ | 407.73541 | 193.1 |
[M]- | 407.73651 | 193.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.