CID 72213786
1260670-20-9
Structural Information
- Molecular Formula
- C8H7BrClNO2
- SMILES
- COC(=O)C1=C(C(=NC=C1)Cl)CBr
- InChI
- InChI=1S/C8H7BrClNO2/c1-13-8(12)5-2-3-11-7(10)6(5)4-9/h2-3H,4H2,1H3
- InChIKey
- IYMDWPOHHSIKCS-UHFFFAOYSA-N
- Compound name
- methyl 3-(bromomethyl)-2-chloropyridine-4-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 263.94216 | 144.1 |
[M+Na]+ | 285.92410 | 148.7 |
[M+NH4]+ | 280.96870 | 148.7 |
[M+K]+ | 301.89804 | 148.5 |
[M-H]- | 261.92760 | 143.9 |
[M+Na-2H]- | 283.90955 | 147.6 |
[M]+ | 262.93433 | 143.8 |
[M]- | 262.93543 | 143.8 |
Literature stripe
No literature data available for this compound.