CID 4194832
4,5-dibromofuran-2-carboxylic acid
Structural Information
- Molecular Formula
- C5H2Br2O3
- SMILES
- C1=C(OC(=C1Br)Br)C(=O)O
- InChI
- InChI=1S/C5H2Br2O3/c6-2-1-3(5(8)9)10-4(2)7/h1H,(H,8,9)
- InChIKey
- BHUVICYZDBUMIU-UHFFFAOYSA-N
- Compound name
- 4,5-dibromofuran-2-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 268.84435 | 136.4 |
[M+Na]+ | 290.82629 | 148.5 |
[M-H]- | 266.82979 | 143.2 |
[M+NH4]+ | 285.87089 | 156.4 |
[M+K]+ | 306.80023 | 134.7 |
[M+H-H2O]+ | 250.83433 | 144.7 |
[M+HCOO]- | 312.83527 | 152.4 |
[M+CH3COO]- | 326.85092 | 195.2 |
[M+Na-2H]- | 288.81174 | 142.7 |
[M]+ | 267.83652 | 171.2 |
[M]- | 267.83762 | 171.2 |