CID 81434
Benzene, 4-methyl-2-nitro-1-nitroso-
Structural Information
- Molecular Formula
- C7H6N2O3
- SMILES
- CC1=CC(=C(C=C1)N=O)[N+](=O)[O-]
- InChI
- InChI=1S/C7H6N2O3/c1-5-2-3-6(8-10)7(4-5)9(11)12/h2-4H,1H3
- InChIKey
- UORRERBFSRQJHQ-UHFFFAOYSA-N
- Compound name
- 4-methyl-2-nitro-1-nitrosobenzene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 167.04512 | 128.5 |
[M+Na]+ | 189.02706 | 137.2 |
[M-H]- | 165.03056 | 134.4 |
[M+NH4]+ | 184.07166 | 149.0 |
[M+K]+ | 205.00100 | 132.9 |
[M+H-H2O]+ | 149.03510 | 127.2 |
[M+HCOO]- | 211.03604 | 157.9 |
[M+CH3COO]- | 225.05169 | 177.3 |
[M+Na-2H]- | 187.01251 | 138.1 |
[M]+ | 166.03729 | 129.2 |
[M]- | 166.03839 | 129.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.