CID 3007643
107659-69-8
Structural Information
- Molecular Formula
- C18H12Cl2FN3O3
- SMILES
- C1=CC(=CC=C1[C@@H]2[C@@](OC(=O)O2)(CN3C=NC=N3)C4=C(C=C(C=C4)Cl)Cl)F
- InChI
- InChI=1S/C18H12Cl2FN3O3/c19-12-3-6-14(15(20)7-12)18(8-24-10-22-9-23-24)16(26-17(25)27-18)11-1-4-13(21)5-2-11/h1-7,9-10,16H,8H2/t16-,18-/m1/s1
- InChIKey
- XZDCQRVDGXVXAX-SJLPKXTDSA-N
- Compound name
- (4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 408.03128 | 189.0 |
[M+Na]+ | 430.01322 | 200.7 |
[M-H]- | 406.01672 | 198.0 |
[M+NH4]+ | 425.05782 | 199.4 |
[M+K]+ | 445.98716 | 195.7 |
[M+H-H2O]+ | 390.02126 | 178.3 |
[M+HCOO]- | 452.02220 | 197.0 |
[M+CH3COO]- | 466.03785 | 199.3 |
[M+Na-2H]- | 427.99867 | 187.6 |
[M]+ | 407.02345 | 193.7 |
[M]- | 407.02455 | 193.7 |
Literature stripe
Patent stripe
No patent data available for this compound.