CID 81038256
2-(7-bromo-1-benzothiophen-3-yl)acetic acid
Structural Information
- Molecular Formula
- C10H7BrO2S
- SMILES
- C1=CC2=C(C(=C1)Br)SC=C2CC(=O)O
- InChI
- InChI=1S/C10H7BrO2S/c11-8-3-1-2-7-6(4-9(12)13)5-14-10(7)8/h1-3,5H,4H2,(H,12,13)
- InChIKey
- PUMYYUKADCCUQO-UHFFFAOYSA-N
- Compound name
- 2-(7-bromo-1-benzothiophen-3-yl)acetic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 270.94228 | 143.8 |
[M+Na]+ | 292.92422 | 158.2 |
[M-H]- | 268.92772 | 151.0 |
[M+NH4]+ | 287.96882 | 167.2 |
[M+K]+ | 308.89816 | 146.1 |
[M+H-H2O]+ | 252.93226 | 145.5 |
[M+HCOO]- | 314.93320 | 161.1 |
[M+CH3COO]- | 328.94885 | 189.1 |
[M+Na-2H]- | 290.90967 | 148.9 |
[M]+ | 269.93445 | 166.5 |
[M]- | 269.93555 | 166.5 |
Literature stripe
No literature data available for this compound.