CID 12320971
24287-95-4
Structural Information
- Molecular Formula
- C5H3BrO2S
- SMILES
- C1=CSC(=C1C(=O)O)Br
- InChI
- InChI=1S/C5H3BrO2S/c6-4-3(5(7)8)1-2-9-4/h1-2H,(H,7,8)
- InChIKey
- RVSXMPCELBYUSF-UHFFFAOYSA-N
- Compound name
- 2-bromothiophene-3-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 206.91100 | 128.0 |
[M+Na]+ | 228.89294 | 141.4 |
[M-H]- | 204.89644 | 134.1 |
[M+NH4]+ | 223.93754 | 152.4 |
[M+K]+ | 244.86688 | 130.5 |
[M+H-H2O]+ | 188.90098 | 129.4 |
[M+HCOO]- | 250.90192 | 145.4 |
[M+CH3COO]- | 264.91757 | 176.7 |
[M+Na-2H]- | 226.87839 | 132.2 |
[M]+ | 205.90317 | 148.0 |
[M]- | 205.90427 | 148.0 |