CID 23555
Bromonitrostyrene
Structural Information
- Molecular Formula
- C8H6BrNO2
- SMILES
- C1=CC=C(C=C1)C=C([N+](=O)[O-])Br
- InChI
- InChI=1S/C8H6BrNO2/c9-8(10(11)12)6-7-4-2-1-3-5-7/h1-6H
- InChIKey
- SKDNDVDHYMEGNJ-UHFFFAOYSA-N
- Compound name
- (2-bromo-2-nitroethenyl)benzene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 227.96547 | 140.2 |
[M+Na]+ | 249.94741 | 143.9 |
[M+NH4]+ | 244.99201 | 145.1 |
[M+K]+ | 265.92135 | 146.0 |
[M-H]- | 225.95091 | 141.8 |
[M+Na-2H]- | 247.93286 | 144.0 |
[M]+ | 226.95764 | 139.9 |
[M]- | 226.95874 | 139.9 |