CID 165999365
3,5-dibromo-2-(chloromethyl)thiophene
Structural Information
- Molecular Formula
- C5H3Br2ClS
- SMILES
- C1=C(SC(=C1Br)CCl)Br
- InChI
- InChI=1S/C5H3Br2ClS/c6-3-1-5(7)9-4(3)2-8/h1H,2H2
- InChIKey
- BMUYLUIRFXOJQO-UHFFFAOYSA-N
- Compound name
- 3,5-dibromo-2-(chloromethyl)thiophene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 288.80834 | 128.0 |
[M+Na]+ | 310.79028 | 143.4 |
[M-H]- | 286.79378 | 136.3 |
[M+NH4]+ | 305.83488 | 151.1 |
[M+K]+ | 326.76422 | 126.1 |
[M+H-H2O]+ | 270.79832 | 138.1 |
[M+HCOO]- | 332.79926 | 139.0 |
[M+CH3COO]- | 346.81491 | 198.6 |
[M+Na-2H]- | 308.77573 | 133.7 |
[M]+ | 287.80051 | 164.9 |
[M]- | 287.80161 | 164.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.