CID 60173120
1179224-44-2
Structural Information
- Molecular Formula
- C10H9ClN2O2
- SMILES
- C1=CC2=C(C(=C1)Cl)N=C(N2)CCC(=O)O
- InChI
- InChI=1S/C10H9ClN2O2/c11-6-2-1-3-7-10(6)13-8(12-7)4-5-9(14)15/h1-3H,4-5H2,(H,12,13)(H,14,15)
- InChIKey
- KNPFNMWDLYTACJ-UHFFFAOYSA-N
- Compound name
- 3-(4-chloro-1H-benzimidazol-2-yl)propanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 225.04253 | 144.7 |
[M+Na]+ | 247.02447 | 158.1 |
[M+NH4]+ | 242.06907 | 152.1 |
[M+K]+ | 262.99841 | 153.7 |
[M-H]- | 223.02797 | 144.4 |
[M+Na-2H]- | 245.00992 | 149.8 |
[M]+ | 224.03470 | 146.6 |
[M]- | 224.03580 | 146.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.