CID 65645780
2-bromo-5-[3-(trifluoromethoxy)phenyl]-1,3,4-thiadiazole
Structural Information
- Molecular Formula
- C9H4BrF3N2OS
- SMILES
- C1=CC(=CC(=C1)OC(F)(F)F)C2=NN=C(S2)Br
- InChI
- InChI=1S/C9H4BrF3N2OS/c10-8-15-14-7(17-8)5-2-1-3-6(4-5)16-9(11,12)13/h1-4H
- InChIKey
- JOGXPTMBVJKSLR-UHFFFAOYSA-N
- Compound name
- 2-bromo-5-[3-(trifluoromethoxy)phenyl]-1,3,4-thiadiazole
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 324.92525 | 152.2 |
[M+Na]+ | 346.90719 | 167.3 |
[M-H]- | 322.91069 | 156.7 |
[M+NH4]+ | 341.95179 | 170.7 |
[M+K]+ | 362.88113 | 155.0 |
[M+H-H2O]+ | 306.91523 | 149.9 |
[M+HCOO]- | 368.91617 | 165.5 |
[M+CH3COO]- | 382.93182 | 197.6 |
[M+Na-2H]- | 344.89264 | 156.5 |
[M]+ | 323.91742 | 171.0 |
[M]- | 323.91852 | 171.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.