CID 50986290
1-(2,4-dimethyl-3,5-dinitrophenyl)ethan-1-one
Structural Information
- Molecular Formula
- C10H10N2O5
- SMILES
- CC1=C(C(=C(C=C1C(=O)C)[N+](=O)[O-])C)[N+](=O)[O-]
- InChI
- InChI=1S/C10H10N2O5/c1-5-8(7(3)13)4-9(11(14)15)6(2)10(5)12(16)17/h4H,1-3H3
- InChIKey
- QBSQTWSZUGJUBI-UHFFFAOYSA-N
- Compound name
- 1-(2,4-dimethyl-3,5-dinitrophenyl)ethanone
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 239.06626 | 149.5 |
[M+Na]+ | 261.04820 | 157.3 |
[M-H]- | 237.05170 | 154.0 |
[M+NH4]+ | 256.09280 | 165.5 |
[M+K]+ | 277.02214 | 148.0 |
[M+H-H2O]+ | 221.05624 | 152.8 |
[M+HCOO]- | 283.05718 | 174.5 |
[M+CH3COO]- | 297.07283 | 184.3 |
[M+Na-2H]- | 259.03365 | 155.3 |
[M]+ | 238.05843 | 148.6 |
[M]- | 238.05953 | 148.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.