CID 16646034
1245569-79-2
Structural Information
- Molecular Formula
- C10H9ClN2O2
- SMILES
- COC(=O)C1=CC2=C(C=C1)N=C(N2)CCl
- InChI
- InChI=1S/C10H9ClN2O2/c1-15-10(14)6-2-3-7-8(4-6)13-9(5-11)12-7/h2-4H,5H2,1H3,(H,12,13)
- InChIKey
- HQJPQNYLAADYLI-UHFFFAOYSA-N
- Compound name
- methyl 2-(chloromethyl)-3H-benzimidazole-5-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 225.04253 | 144.3 |
[M+Na]+ | 247.02447 | 158.3 |
[M+NH4]+ | 242.06907 | 152.1 |
[M+K]+ | 262.99841 | 153.6 |
[M-H]- | 223.02797 | 144.5 |
[M+Na-2H]- | 245.00992 | 150.0 |
[M]+ | 224.03470 | 146.5 |
[M]- | 224.03580 | 146.5 |
Literature stripe
No literature data available for this compound.