CID 75177
2,5-dichloro-1,3-dinitrobenzene
Structural Information
- Molecular Formula
- C6H2Cl2N2O4
- SMILES
- C1=C(C=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])Cl
- InChI
- InChI=1S/C6H2Cl2N2O4/c7-3-1-4(9(11)12)6(8)5(2-3)10(13)14/h1-2H
- InChIKey
- AGGUKALRPKAKSM-UHFFFAOYSA-N
- Compound name
- 2,5-dichloro-1,3-dinitrobenzene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 236.94644 | 146.5 |
[M+Na]+ | 258.92838 | 154.7 |
[M-H]- | 234.93188 | 149.3 |
[M+NH4]+ | 253.97298 | 163.2 |
[M+K]+ | 274.90232 | 143.7 |
[M+H-H2O]+ | 218.93642 | 152.2 |
[M+HCOO]- | 280.93736 | 163.6 |
[M+CH3COO]- | 294.95301 | 178.5 |
[M+Na-2H]- | 256.91383 | 153.5 |
[M]+ | 235.93861 | 146.9 |
[M]- | 235.93971 | 146.9 |