CID 135398698
2-(6-hydroxy-1,3-benzothiazol-2-yl)-1,3-thiazol-4(5h)-one
Structural Information
- Molecular Formula
- C10H6N2O2S2
- SMILES
- C1C(=O)N=C(S1)C2=NC3=C(S2)C=C(C=C3)O
- InChI
- InChI=1S/C10H6N2O2S2/c13-5-1-2-6-7(3-5)16-10(11-6)9-12-8(14)4-15-9/h1-3,13H,4H2
- InChIKey
- JJVOROULKOMTKG-UHFFFAOYSA-N
- Compound name
- 2-(6-hydroxy-1,3-benzothiazol-2-yl)-1,3-thiazol-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 250.99436 | 149.9 |
[M+Na]+ | 272.97630 | 163.6 |
[M-H]- | 248.97980 | 155.7 |
[M+NH4]+ | 268.02090 | 170.2 |
[M+K]+ | 288.95024 | 158.5 |
[M+H-H2O]+ | 232.98434 | 145.5 |
[M+HCOO]- | 294.98528 | 163.8 |
[M+CH3COO]- | 309.00093 | 163.7 |
[M+Na-2H]- | 270.96175 | 150.3 |
[M]+ | 249.98653 | 154.9 |
[M]- | 249.98763 | 154.9 |