CID 71758566
Sodium 2-(1,3-benzothiazol-2-yl)-2-fluoroacetate
Structural Information
- Molecular Formula
- C9H6FNO2S
- SMILES
- C1=CC=C2C(=C1)N=C(S2)C(C(=O)O)F
- InChI
- InChI=1S/C9H6FNO2S/c10-7(9(12)13)8-11-5-3-1-2-4-6(5)14-8/h1-4,7H,(H,12,13)
- InChIKey
- RJHUYRWBNQVJEG-UHFFFAOYSA-N
- Compound name
- 2-(1,3-benzothiazol-2-yl)-2-fluoroacetic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 212.01761 | 140.5 |
[M+Na]+ | 233.99955 | 151.7 |
[M+NH4]+ | 229.04415 | 148.4 |
[M+K]+ | 249.97349 | 146.5 |
[M-H]- | 210.00305 | 140.0 |
[M+Na-2H]- | 231.98500 | 145.1 |
[M]+ | 211.00978 | 142.2 |
[M]- | 211.01088 | 142.2 |
Literature stripe
No literature data available for this compound.