CID 5273008
5'-deoxy tcrb
Structural Information
- Molecular Formula
- C13H13Cl3N2O3
- SMILES
- CC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=CC(=C(C=C3N=C2Cl)Cl)Cl)O)O
- InChI
- InChI=1S/C13H13Cl3N2O3/c1-2-9-10(19)11(20)12(21-9)18-8-4-6(15)5(14)3-7(8)17-13(18)16/h3-4,9-12,19-20H,2H2,1H3/t9-,10-,11-,12-/m1/s1
- InChIKey
- KBLHHVRWYUTZRB-DDHJBXDOSA-N
- Compound name
- (2R,3S,4R,5R)-2-ethyl-5-(2,5,6-trichlorobenzimidazol-1-yl)oxolane-3,4-diol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 351.00646 | 176.3 |
[M+Na]+ | 372.98840 | 189.0 |
[M-H]- | 348.99190 | 179.0 |
[M+NH4]+ | 368.03300 | 191.1 |
[M+K]+ | 388.96234 | 183.0 |
[M+H-H2O]+ | 332.99644 | 171.3 |
[M+HCOO]- | 394.99738 | 179.2 |
[M+CH3COO]- | 409.01303 | 186.8 |
[M+Na-2H]- | 370.97385 | 173.6 |
[M]+ | 349.99863 | 181.6 |
[M]- | 349.99973 | 181.6 |