CID 12474326
1-bromo-2,4-dimethyl-5-nitrobenzene
Structural Information
- Molecular Formula
- C8H8BrNO2
- SMILES
- CC1=CC(=C(C=C1[N+](=O)[O-])Br)C
- InChI
- InChI=1S/C8H8BrNO2/c1-5-3-6(2)8(10(11)12)4-7(5)9/h3-4H,1-2H3
- InChIKey
- HYYJANCKMGXHLQ-UHFFFAOYSA-N
- Compound name
- 1-bromo-2,4-dimethyl-5-nitrobenzene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 229.98113 | 141.5 |
[M+Na]+ | 251.96307 | 146.4 |
[M+NH4]+ | 247.00767 | 146.8 |
[M+K]+ | 267.93701 | 148.3 |
[M-H]- | 227.96657 | 143.7 |
[M+Na-2H]- | 249.94852 | 145.0 |
[M]+ | 228.97330 | 141.7 |
[M]- | 228.97440 | 141.7 |
Literature stripe
No literature data available for this compound.