CID 14893045
127726-62-9
Structural Information
- Molecular Formula
- C5H3Cl2N3O4S
- SMILES
- CS(=O)(=O)C1=NC(=C(C(=N1)Cl)[N+](=O)[O-])Cl
- InChI
- InChI=1S/C5H3Cl2N3O4S/c1-15(13,14)5-8-3(6)2(10(11)12)4(7)9-5/h1H3
- InChIKey
- JTCQXDMVZPLEIL-UHFFFAOYSA-N
- Compound name
- 4,6-dichloro-2-methylsulfonyl-5-nitropyrimidine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 271.92940 | 146.0 |
[M+Na]+ | 293.91134 | 156.6 |
[M-H]- | 269.91484 | 147.8 |
[M+NH4]+ | 288.95594 | 160.8 |
[M+K]+ | 309.88528 | 148.5 |
[M+H-H2O]+ | 253.91938 | 146.0 |
[M+HCOO]- | 315.92032 | 154.4 |
[M+CH3COO]- | 329.93597 | 184.2 |
[M+Na-2H]- | 291.89679 | 152.5 |
[M]+ | 270.92157 | 149.9 |
[M]- | 270.92267 | 149.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.