CID 58703443
4-bromo-2-isocyanato-1-methoxybenzene
Structural Information
- Molecular Formula
- C8H6BrNO2
- SMILES
- COC1=C(C=C(C=C1)Br)N=C=O
- InChI
- InChI=1S/C8H6BrNO2/c1-12-8-3-2-6(9)4-7(8)10-5-11/h2-4H,1H3
- InChIKey
- JETIPBCSRYCACD-UHFFFAOYSA-N
- Compound name
- 4-bromo-2-isocyanato-1-methoxybenzene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 227.96547 | 137.6 |
[M+Na]+ | 249.94741 | 141.4 |
[M+NH4]+ | 244.99201 | 142.3 |
[M+K]+ | 265.92135 | 141.0 |
[M-H]- | 225.95091 | 138.7 |
[M+Na-2H]- | 247.93286 | 141.9 |
[M]+ | 226.95764 | 137.2 |
[M]- | 226.95874 | 137.2 |
Literature stripe
No literature data available for this compound.