CID 28888232
3-{[(2-fluorophenyl)sulfanyl]methyl}-1-benzofuran-2-carboxylic acid
Structural Information
- Molecular Formula
- C16H11FO3S
- SMILES
- C1=CC=C2C(=C1)C(=C(O2)C(=O)O)CSC3=CC=CC=C3F
- InChI
- InChI=1S/C16H11FO3S/c17-12-6-2-4-8-14(12)21-9-11-10-5-1-3-7-13(10)20-15(11)16(18)19/h1-8H,9H2,(H,18,19)
- InChIKey
- AKHCCAYLTYUWNU-UHFFFAOYSA-N
- Compound name
- 3-[(2-fluorophenyl)sulfanylmethyl]-1-benzofuran-2-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 303.04858 | 164.6 |
[M+Na]+ | 325.03052 | 175.5 |
[M-H]- | 301.03402 | 171.6 |
[M+NH4]+ | 320.07512 | 181.5 |
[M+K]+ | 341.00446 | 171.1 |
[M+H-H2O]+ | 285.03856 | 157.9 |
[M+HCOO]- | 347.03950 | 181.9 |
[M+CH3COO]- | 361.05515 | 177.4 |
[M+Na-2H]- | 323.01597 | 166.9 |
[M]+ | 302.04075 | 169.9 |
[M]- | 302.04185 | 169.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.