CID 3073971
154106-11-3
Structural Information
- Molecular Formula
- C10H10ClN3O2S
- SMILES
- CN1C(=NC(=N1)C2=CC=C(C=C2)Cl)S(=O)(=O)C
- InChI
- InChI=1S/C10H10ClN3O2S/c1-14-10(17(2,15)16)12-9(13-14)7-3-5-8(11)6-4-7/h3-6H,1-2H3
- InChIKey
- KRHDSRWEONQVEF-UHFFFAOYSA-N
- Compound name
- 3-(4-chlorophenyl)-1-methyl-5-methylsulfonyl-1,2,4-triazole
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 272.02550 | 157.2 |
[M+Na]+ | 294.00744 | 170.0 |
[M-H]- | 270.01094 | 161.6 |
[M+NH4]+ | 289.05204 | 173.3 |
[M+K]+ | 309.98138 | 164.8 |
[M+H-H2O]+ | 254.01548 | 150.3 |
[M+HCOO]- | 316.01642 | 169.1 |
[M+CH3COO]- | 330.03207 | 191.9 |
[M+Na-2H]- | 291.99289 | 159.3 |
[M]+ | 271.01767 | 163.2 |
[M]- | 271.01877 | 163.2 |
Literature stripe
Patent stripe
No patent data available for this compound.