CID 3477612
Phosphostim
Structural Information
- Molecular Formula
- C5H13BrO8P2
- SMILES
- CC(CCOP(=O)(O)OP(=O)(O)O)(CBr)O
- InChI
- InChI=1S/C5H13BrO8P2/c1-5(7,4-6)2-3-13-16(11,12)14-15(8,9)10/h7H,2-4H2,1H3,(H,11,12)(H2,8,9,10)
- InChIKey
- YKAYCWPQDPILSA-UHFFFAOYSA-N
- Compound name
- (4-bromo-3-hydroxy-3-methylbutyl) phosphono hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 342.93418 | 184.0 |
[M+Na]+ | 364.91612 | 192.3 |
[M-H]- | 340.91962 | 179.4 |
[M+NH4]+ | 359.96072 | 179.1 |
[M+K]+ | 380.89006 | 182.4 |
[M+H-H2O]+ | 324.92416 | 179.8 |
[M+HCOO]- | 386.92510 | 197.3 |
[M+CH3COO]- | 400.94075 | 194.5 |
[M+Na-2H]- | 362.90157 | 187.4 |
[M]+ | 341.92635 | 205.3 |
[M]- | 341.92745 | 205.3 |