CID 46737907
Tert-butyl 5-bromo-7-chloro-3-iodo-1h-pyrrolo[2,3-c]pyridine-1-carboxylate
Structural Information
- Molecular Formula
- C12H11BrClIN2O2
- SMILES
- CC(C)(C)OC(=O)N1C=C(C2=CC(=NC(=C21)Cl)Br)I
- InChI
- InChI=1S/C12H11BrClIN2O2/c1-12(2,3)19-11(18)17-5-7(15)6-4-8(13)16-10(14)9(6)17/h4-5H,1-3H3
- InChIKey
- BCJCEPFJUXGZQN-UHFFFAOYSA-N
- Compound name
- tert-butyl 5-bromo-7-chloro-3-iodopyrrolo[2,3-c]pyridine-1-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 456.88100 | 170.1 |
[M+Na]+ | 478.86294 | 179.1 |
[M-H]- | 454.86644 | 169.5 |
[M+NH4]+ | 473.90754 | 184.8 |
[M+K]+ | 494.83688 | 172.5 |
[M+H-H2O]+ | 438.87098 | 166.9 |
[M+HCOO]- | 500.87192 | 180.0 |
[M+CH3COO]- | 514.88757 | 212.1 |
[M+Na-2H]- | 476.84839 | 164.8 |
[M]+ | 455.87317 | 191.7 |
[M]- | 455.87427 | 191.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.