CID 12363878
1-(2-bromoethyl)-2-nitrobenzene
Structural Information
- Molecular Formula
- C8H8BrNO2
- SMILES
- C1=CC=C(C(=C1)CCBr)[N+](=O)[O-]
- InChI
- InChI=1S/C8H8BrNO2/c9-6-5-7-3-1-2-4-8(7)10(11)12/h1-4H,5-6H2
- InChIKey
- SJLIPOVZERLCNL-UHFFFAOYSA-N
- Compound name
- 1-(2-bromoethyl)-2-nitrobenzene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 229.98113 | 142.4 |
[M+Na]+ | 251.96307 | 146.6 |
[M+NH4]+ | 247.00767 | 147.6 |
[M+K]+ | 267.93701 | 148.1 |
[M-H]- | 227.96657 | 144.4 |
[M+Na-2H]- | 249.94852 | 146.2 |
[M]+ | 228.97330 | 142.3 |
[M]- | 228.97440 | 142.3 |