CID 2777613
Methyl 4,5-dibromo-3-hydroxythiophene-2-carboxylate
Structural Information
- Molecular Formula
- C6H4Br2O3S
- SMILES
- COC(=O)C1=C(C(=C(S1)Br)Br)O
- InChI
- InChI=1S/C6H4Br2O3S/c1-11-6(10)4-3(9)2(7)5(8)12-4/h9H,1H3
- InChIKey
- BRIPHJFDXWRHAV-UHFFFAOYSA-N
- Compound name
- methyl 4,5-dibromo-3-hydroxythiophene-2-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 314.83208 | 133.3 |
[M+Na]+ | 336.81402 | 146.6 |
[M-H]- | 312.81752 | 140.2 |
[M+NH4]+ | 331.85862 | 153.9 |
[M+K]+ | 352.78796 | 130.9 |
[M+H-H2O]+ | 296.82206 | 142.0 |
[M+HCOO]- | 358.82300 | 146.1 |
[M+CH3COO]- | 372.83865 | 200.7 |
[M+Na-2H]- | 334.79947 | 137.1 |
[M]+ | 313.82425 | 170.0 |
[M]- | 313.82535 | 170.0 |
Literature stripe
No literature data available for this compound.