CID 12423425
67443-52-1
Structural Information
- Molecular Formula
- C12H10O3S
- SMILES
- C1=CC=C(C(=C1)C(=O)O)OCC2=CC=CS2
- InChI
- InChI=1S/C12H10O3S/c13-12(14)10-5-1-2-6-11(10)15-8-9-4-3-7-16-9/h1-7H,8H2,(H,13,14)
- InChIKey
- RRFAFXKXAHHJTP-UHFFFAOYSA-N
- Compound name
- 2-(thiophen-2-ylmethoxy)benzoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 235.04234 | 150.3 |
[M+Na]+ | 257.02428 | 158.5 |
[M-H]- | 233.02778 | 156.4 |
[M+NH4]+ | 252.06888 | 169.7 |
[M+K]+ | 272.99822 | 155.1 |
[M+H-H2O]+ | 217.03232 | 144.3 |
[M+HCOO]- | 279.03326 | 169.5 |
[M+CH3COO]- | 293.04891 | 184.3 |
[M+Na-2H]- | 255.00973 | 151.6 |
[M]+ | 234.03451 | 153.4 |
[M]- | 234.03561 | 153.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.