CID 1034359
2-(4-allyl-5-((2-chloro-6-fluorobenzyl)thio)-4h-1,2,4-triazol-3-yl)pyridine
Structural Information
- Molecular Formula
- C17H14ClFN4S
- SMILES
- C=CCN1C(=NN=C1SCC2=C(C=CC=C2Cl)F)C3=CC=CC=N3
- InChI
- InChI=1S/C17H14ClFN4S/c1-2-10-23-16(15-8-3-4-9-20-15)21-22-17(23)24-11-12-13(18)6-5-7-14(12)19/h2-9H,1,10-11H2
- InChIKey
- JSBNTMAPELNNEI-UHFFFAOYSA-N
- Compound name
- 2-[5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 361.06848 | 180.2 |
[M+Na]+ | 383.05042 | 192.2 |
[M-H]- | 359.05392 | 184.1 |
[M+NH4]+ | 378.09502 | 191.1 |
[M+K]+ | 399.02436 | 183.0 |
[M+H-H2O]+ | 343.05846 | 169.2 |
[M+HCOO]- | 405.05940 | 189.9 |
[M+CH3COO]- | 419.07505 | 190.3 |
[M+Na-2H]- | 381.03587 | 178.9 |
[M]+ | 360.06065 | 184.5 |
[M]- | 360.06175 | 184.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.