CID 1600702
443738-33-8
Structural Information
- Molecular Formula
- C22H17Cl2N3S
- SMILES
- CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3Cl)C4=CC=C(C=C4)Cl
- InChI
- InChI=1S/C22H17Cl2N3S/c1-15-6-12-19(13-7-15)27-21(16-8-10-18(23)11-9-16)25-26-22(27)28-14-17-4-2-3-5-20(17)24/h2-13H,14H2,1H3
- InChIKey
- JUWIKACBRMYBON-UHFFFAOYSA-N
- Compound name
- 3-(4-chlorophenyl)-5-[(2-chlorophenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazole
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 426.05931 | 198.2 |
[M+Na]+ | 448.04125 | 210.0 |
[M-H]- | 424.04475 | 207.0 |
[M+NH4]+ | 443.08585 | 208.1 |
[M+K]+ | 464.01519 | 200.0 |
[M+H-H2O]+ | 408.04929 | 187.6 |
[M+HCOO]- | 470.05023 | 204.5 |
[M+CH3COO]- | 484.06588 | 207.7 |
[M+Na-2H]- | 446.02670 | 195.9 |
[M]+ | 425.05148 | 204.5 |
[M]- | 425.05258 | 204.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.