CID 43622203
1153093-46-9
Structural Information
- Molecular Formula
- C9H7ClN4
- SMILES
- CC1=CC(=NC(=N1)C2=NC=CC=N2)Cl
- InChI
- InChI=1S/C9H7ClN4/c1-6-5-7(10)14-9(13-6)8-11-3-2-4-12-8/h2-5H,1H3
- InChIKey
- AQRZLGUVRPSCRO-UHFFFAOYSA-N
- Compound name
- 4-chloro-6-methyl-2-pyrimidin-2-ylpyrimidine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 207.04320 | 141.4 |
[M+Na]+ | 229.02514 | 152.8 |
[M-H]- | 205.02864 | 142.8 |
[M+NH4]+ | 224.06974 | 155.7 |
[M+K]+ | 244.99908 | 147.4 |
[M+H-H2O]+ | 189.03318 | 131.8 |
[M+HCOO]- | 251.03412 | 157.0 |
[M+CH3COO]- | 265.04977 | 153.9 |
[M+Na-2H]- | 227.01059 | 150.3 |
[M]+ | 206.03537 | 143.2 |
[M]- | 206.03647 | 143.2 |
Literature stripe
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