CID 6890158
676254-05-0
Structural Information
- Molecular Formula
- C15H9Cl2FN4S
- SMILES
- C1=CC=C(C(=C1)C2=NNC(=S)N2/N=C/C3=C(C(=CC=C3)Cl)Cl)F
- InChI
- InChI=1S/C15H9Cl2FN4S/c16-11-6-3-4-9(13(11)17)8-19-22-14(20-21-15(22)23)10-5-1-2-7-12(10)18/h1-8H,(H,21,23)/b19-8+
- InChIKey
- UHNQIYSGXMERSN-UFWORHAWSA-N
- Compound name
- 4-[(E)-(2,3-dichlorophenyl)methylideneamino]-3-(2-fluorophenyl)-1H-1,2,4-triazole-5-thione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 366.99818 | 178.6 |
[M+Na]+ | 388.98012 | 191.8 |
[M-H]- | 364.98362 | 183.8 |
[M+NH4]+ | 384.02472 | 191.1 |
[M+K]+ | 404.95406 | 181.8 |
[M+H-H2O]+ | 348.98816 | 169.2 |
[M+HCOO]- | 410.98910 | 186.2 |
[M+CH3COO]- | 425.00475 | 189.2 |
[M+Na-2H]- | 386.96557 | 177.6 |
[M]+ | 365.99035 | 182.0 |
[M]- | 365.99145 | 182.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.