CID 3843134
4-bromo-5-propylthiophene-2-carboxylic acid
Structural Information
- Molecular Formula
- C8H9BrO2S
- SMILES
- CCCC1=C(C=C(S1)C(=O)O)Br
- InChI
- InChI=1S/C8H9BrO2S/c1-2-3-6-5(9)4-7(12-6)8(10)11/h4H,2-3H2,1H3,(H,10,11)
- InChIKey
- WMBFFUJISNVJLE-UHFFFAOYSA-N
- Compound name
- 4-bromo-5-propylthiophene-2-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 248.95793 | 140.6 |
[M+Na]+ | 270.93987 | 153.6 |
[M-H]- | 246.94337 | 146.6 |
[M+NH4]+ | 265.98447 | 163.7 |
[M+K]+ | 286.91381 | 141.9 |
[M+H-H2O]+ | 230.94791 | 141.7 |
[M+HCOO]- | 292.94885 | 157.0 |
[M+CH3COO]- | 306.96450 | 186.2 |
[M+Na-2H]- | 268.92532 | 142.7 |
[M]+ | 247.95010 | 162.0 |
[M]- | 247.95120 | 162.0 |
Literature stripe
No literature data available for this compound.