CID 46739366
Benzo-2,1,3-thiadiazole-4-boronic acid
Structural Information
- Molecular Formula
- C6H5BN2O2S
- SMILES
- B(C1=CC=CC2=NSN=C12)(O)O
- InChI
- InChI=1S/C6H5BN2O2S/c10-7(11)4-2-1-3-5-6(4)9-12-8-5/h1-3,10-11H
- InChIKey
- RVXHEMODAHHASJ-UHFFFAOYSA-N
- Compound name
- 2,1,3-benzothiadiazol-4-ylboronic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 181.02376 | 130.8 |
[M+Na]+ | 203.00570 | 141.9 |
[M-H]- | 179.00920 | 131.4 |
[M+NH4]+ | 198.05030 | 150.7 |
[M+K]+ | 218.97964 | 138.6 |
[M+H-H2O]+ | 163.01374 | 125.4 |
[M+HCOO]- | 225.01468 | 147.2 |
[M+CH3COO]- | 239.03033 | 144.4 |
[M+Na-2H]- | 200.99115 | 136.1 |
[M]+ | 180.01593 | 133.6 |
[M]- | 180.01703 | 133.6 |
Literature stripe
No literature data available for this compound.