CID 3076396
2(3h)-benzothiazolimine, 3-(2-((4-fluorophenyl)thio)ethyl)-6-(trifluoromethoxy)-, monohydrochloride
Structural Information
- Molecular Formula
- C16H12F4N2OS2
- SMILES
- C1=CC(=CC=C1F)SCCN2C3=C(C=C(C=C3)OC(F)(F)F)SC2=N
- InChI
- InChI=1S/C16H12F4N2OS2/c17-10-1-4-12(5-2-10)24-8-7-22-13-6-3-11(23-16(18,19)20)9-14(13)25-15(22)21/h1-6,9,21H,7-8H2
- InChIKey
- CZVVWUUTOCAYBB-UHFFFAOYSA-N
- Compound name
- 3-[2-(4-fluorophenyl)sulfanylethyl]-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 389.03998 | 178.7 |
[M+Na]+ | 411.02192 | 190.9 |
[M-H]- | 387.02542 | 180.6 |
[M+NH4]+ | 406.06652 | 193.0 |
[M+K]+ | 426.99586 | 182.3 |
[M+H-H2O]+ | 371.02996 | 168.7 |
[M+HCOO]- | 433.03090 | 188.5 |
[M+CH3COO]- | 447.04655 | 216.8 |
[M+Na-2H]- | 409.00737 | 179.5 |
[M]+ | 388.03215 | 180.7 |
[M]- | 388.03325 | 180.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.