CID 12289737
10531-42-7
Structural Information
- Molecular Formula
- C7H7BrOS
- SMILES
- CC1=CC=C(S1)C(=O)CBr
- InChI
- InChI=1S/C7H7BrOS/c1-5-2-3-7(10-5)6(9)4-8/h2-3H,4H2,1H3
- InChIKey
- WIEZPKHDQRZMCI-UHFFFAOYSA-N
- Compound name
- 2-bromo-1-(5-methylthiophen-2-yl)ethanone
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 218.94738 | 133.2 |
[M+Na]+ | 240.92932 | 146.5 |
[M-H]- | 216.93282 | 140.5 |
[M+NH4]+ | 235.97392 | 158.0 |
[M+K]+ | 256.90326 | 135.7 |
[M+H-H2O]+ | 200.93736 | 134.4 |
[M+HCOO]- | 262.93830 | 151.2 |
[M+CH3COO]- | 276.95395 | 183.0 |
[M+Na-2H]- | 238.91477 | 136.8 |
[M]+ | 217.93955 | 154.4 |
[M]- | 217.94065 | 154.4 |