CID 1956678
676244-32-9
Structural Information
- Molecular Formula
- C15H11Cl2FN4S
- SMILES
- C1=CC=C(C(=C1)CSC2=NN=C(N2N)C3=C(C=C(C=C3)Cl)Cl)F
- InChI
- InChI=1S/C15H11Cl2FN4S/c16-10-5-6-11(12(17)7-10)14-20-21-15(22(14)19)23-8-9-3-1-2-4-13(9)18/h1-7H,8,19H2
- InChIKey
- WYAQNECMVOWDGZ-UHFFFAOYSA-N
- Compound name
- 3-(2,4-dichlorophenyl)-5-[(2-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 369.01384 | 177.9 |
[M+Na]+ | 390.99578 | 190.5 |
[M-H]- | 366.99928 | 182.6 |
[M+NH4]+ | 386.04038 | 190.1 |
[M+K]+ | 406.96972 | 181.4 |
[M+H-H2O]+ | 351.00382 | 168.5 |
[M+HCOO]- | 413.00476 | 184.7 |
[M+CH3COO]- | 427.02041 | 188.3 |
[M+Na-2H]- | 388.98123 | 176.3 |
[M]+ | 368.00601 | 181.9 |
[M]- | 368.00711 | 181.9 |
Literature stripe
No literature data available for this compound.