CID 25230953
2,4-dichloro-7-methyl-7h-pyrrolo[2,3-d]pyrimidine
Structural Information
- Molecular Formula
- C7H5Cl2N3
- SMILES
- CN1C=CC2=C1N=C(N=C2Cl)Cl
- InChI
- InChI=1S/C7H5Cl2N3/c1-12-3-2-4-5(8)10-7(9)11-6(4)12/h2-3H,1H3
- InChIKey
- WIROGLUDZOMAPT-UHFFFAOYSA-N
- Compound name
- 2,4-dichloro-7-methylpyrrolo[2,3-d]pyrimidine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 201.99333 | 135.8 |
[M+Na]+ | 223.97527 | 150.1 |
[M-H]- | 199.97877 | 136.5 |
[M+NH4]+ | 219.01987 | 155.7 |
[M+K]+ | 239.94921 | 144.5 |
[M+H-H2O]+ | 183.98331 | 129.1 |
[M+HCOO]- | 245.98425 | 148.9 |
[M+CH3COO]- | 259.99990 | 149.8 |
[M+Na-2H]- | 221.96072 | 142.7 |
[M]+ | 200.98550 | 141.0 |
[M]- | 200.98660 | 141.0 |