CID 218190
Brn 0926499
Structural Information
- Molecular Formula
- C12H9ClN2O4
- SMILES
- COC(=O)C(=O)C1=C(N=C(N1)C2=CC=C(C=C2)Cl)O
- InChI
- InChI=1S/C12H9ClN2O4/c1-19-12(18)9(16)8-11(17)15-10(14-8)6-2-4-7(13)5-3-6/h2-5,17H,1H3,(H,14,15)
- InChIKey
- CGNKKHUFNCNCSO-UHFFFAOYSA-N
- Compound name
- methyl 2-[2-(4-chlorophenyl)-4-hydroxy-1H-imidazol-5-yl]-2-oxoacetate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 281.03238 | 157.1 |
[M+Na]+ | 303.01432 | 166.7 |
[M-H]- | 279.01782 | 159.5 |
[M+NH4]+ | 298.05892 | 171.6 |
[M+K]+ | 318.98826 | 161.9 |
[M+H-H2O]+ | 263.02236 | 150.2 |
[M+HCOO]- | 325.02330 | 171.9 |
[M+CH3COO]- | 339.03895 | 191.4 |
[M+Na-2H]- | 300.99977 | 158.0 |
[M]+ | 280.02455 | 159.7 |
[M]- | 280.02565 | 159.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.