CID 75356228
2-(cyclopentylsulfanyl)-6-fluorobenzoic acid
Structural Information
- Molecular Formula
- C12H13FO2S
- SMILES
- C1CCC(C1)SC2=CC=CC(=C2C(=O)O)F
- InChI
- InChI=1S/C12H13FO2S/c13-9-6-3-7-10(11(9)12(14)15)16-8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H,14,15)
- InChIKey
- WEDQKDAKXCFULT-UHFFFAOYSA-N
- Compound name
- 2-cyclopentylsulfanyl-6-fluorobenzoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 241.06931 | 151.4 |
[M+Na]+ | 263.05125 | 158.5 |
[M-H]- | 239.05475 | 155.6 |
[M+NH4]+ | 258.09585 | 170.6 |
[M+K]+ | 279.02519 | 154.5 |
[M+H-H2O]+ | 223.05929 | 144.9 |
[M+HCOO]- | 285.06023 | 166.3 |
[M+CH3COO]- | 299.07588 | 186.8 |
[M+Na-2H]- | 261.03670 | 149.6 |
[M]+ | 240.06148 | 149.6 |
[M]- | 240.06258 | 149.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.