CID 469797
217322-00-4
Structural Information
- Molecular Formula
- C16H12ClFN2S
- SMILES
- C[C@@H]1C2=NC3=CC=CC=C3N2[C@H](S1)C4=C(C=CC=C4Cl)F
- InChI
- InChI=1S/C16H12ClFN2S/c1-9-15-19-12-7-2-3-8-13(12)20(15)16(21-9)14-10(17)5-4-6-11(14)18/h2-9,16H,1H3/t9-,16-/m1/s1
- InChIKey
- ANWLALHSVVQOAU-JDNHERCYSA-N
- Compound name
- (1R,3R)-1-(2-chloro-6-fluorophenyl)-3-methyl-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 319.04665 | 170.5 |
[M+Na]+ | 341.02859 | 185.3 |
[M-H]- | 317.03209 | 177.1 |
[M+NH4]+ | 336.07319 | 190.7 |
[M+K]+ | 357.00253 | 177.6 |
[M+H-H2O]+ | 301.03663 | 163.7 |
[M+HCOO]- | 363.03757 | 182.5 |
[M+CH3COO]- | 377.05322 | 183.5 |
[M+Na-2H]- | 339.01404 | 169.9 |
[M]+ | 318.03882 | 176.6 |
[M]- | 318.03992 | 176.6 |
Literature stripe
Patent stripe
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