CID 13152807
1h-pyrrole-2-carboxylic acid, 3,4,5-tribromo-, methyl ester
Structural Information
- Molecular Formula
- C6H4Br3NO2
- SMILES
- COC(=O)C1=C(C(=C(N1)Br)Br)Br
- InChI
- InChI=1S/C6H4Br3NO2/c1-12-6(11)4-2(7)3(8)5(9)10-4/h10H,1H3
- InChIKey
- JKARVVJCKXGAHO-UHFFFAOYSA-N
- Compound name
- methyl 3,4,5-tribromo-1H-pyrrole-2-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 359.78648 | 140.6 |
[M+Na]+ | 381.76842 | 149.8 |
[M-H]- | 357.77192 | 145.2 |
[M+NH4]+ | 376.81302 | 155.7 |
[M+K]+ | 397.74236 | 134.5 |
[M+H-H2O]+ | 341.77646 | 155.2 |
[M+HCOO]- | 403.77740 | 150.5 |
[M+CH3COO]- | 417.79305 | 218.0 |
[M+Na-2H]- | 379.75387 | 144.6 |
[M]+ | 358.77865 | 181.5 |
[M]- | 358.77975 | 181.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.