CID 688204
5153-71-9
Structural Information
- Molecular Formula
- C8H6BrNO2
- SMILES
- C1=CC(=CC=C1/C=C/[N+](=O)[O-])Br
- InChI
- InChI=1S/C8H6BrNO2/c9-8-3-1-7(2-4-8)5-6-10(11)12/h1-6H/b6-5+
- InChIKey
- LSGVHLGCJIBLMB-AATRIKPKSA-N
- Compound name
- 1-bromo-4-[(E)-2-nitroethenyl]benzene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 227.96547 | 141.2 |
[M+Na]+ | 249.94741 | 145.5 |
[M+NH4]+ | 244.99201 | 146.2 |
[M+K]+ | 265.92135 | 147.0 |
[M-H]- | 225.95091 | 143.0 |
[M+Na-2H]- | 247.93286 | 145.0 |
[M]+ | 226.95764 | 141.1 |
[M]- | 226.95874 | 141.1 |