CID 216720
5-(3,4-dibromobutyl)picolinic acid
Structural Information
- Molecular Formula
- C10H11Br2NO2
- SMILES
- C1=CC(=NC=C1CCC(CBr)Br)C(=O)O
- InChI
- InChI=1S/C10H11Br2NO2/c11-5-8(12)3-1-7-2-4-9(10(14)15)13-6-7/h2,4,6,8H,1,3,5H2,(H,14,15)
- InChIKey
- BHLDVPHVPKRBFM-UHFFFAOYSA-N
- Compound name
- 5-(3,4-dibromobutyl)pyridine-2-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 335.92293 | 149.1 |
[M+Na]+ | 357.90487 | 158.3 |
[M-H]- | 333.90837 | 153.4 |
[M+NH4]+ | 352.94947 | 165.3 |
[M+K]+ | 373.87881 | 142.7 |
[M+H-H2O]+ | 317.91291 | 156.4 |
[M+HCOO]- | 379.91385 | 162.1 |
[M+CH3COO]- | 393.92950 | 206.7 |
[M+Na-2H]- | 355.89032 | 154.3 |
[M]+ | 334.91510 | 183.1 |
[M]- | 334.91620 | 183.1 |
Literature stripe
No literature data available for this compound.