CID 15536009
1,3-dihydro-2,1-benzisothiazole 2,2-dioxide
Structural Information
- Molecular Formula
- C7H7NO2S
- SMILES
- C1C2=CC=CC=C2NS1(=O)=O
- InChI
- InChI=1S/C7H7NO2S/c9-11(10)5-6-3-1-2-4-7(6)8-11/h1-4,8H,5H2
- InChIKey
- OJWMDOIYUCEXNF-UHFFFAOYSA-N
- Compound name
- 1,3-dihydro-2,1-benzothiazole 2,2-dioxide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 170.02702 | 129.9 |
[M+Na]+ | 192.00896 | 141.0 |
[M-H]- | 168.01246 | 132.7 |
[M+NH4]+ | 187.05356 | 154.1 |
[M+K]+ | 207.98290 | 137.5 |
[M+H-H2O]+ | 152.01700 | 125.6 |
[M+HCOO]- | 214.01794 | 147.4 |
[M+CH3COO]- | 228.03359 | 144.2 |
[M+Na-2H]- | 189.99441 | 135.9 |
[M]+ | 169.01919 | 130.8 |
[M]- | 169.02029 | 130.8 |