CID 82379596
7-bromo-2,3-dimethyl-1h-indole-5-carboxylic acid
Structural Information
- Molecular Formula
- C11H10BrNO2
- SMILES
- CC1=C(NC2=C1C=C(C=C2Br)C(=O)O)C
- InChI
- InChI=1S/C11H10BrNO2/c1-5-6(2)13-10-8(5)3-7(11(14)15)4-9(10)12/h3-4,13H,1-2H3,(H,14,15)
- InChIKey
- IXQAZJBTYBLKGF-UHFFFAOYSA-N
- Compound name
- 7-bromo-2,3-dimethyl-1H-indole-5-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 267.99678 | 150.9 |
[M+Na]+ | 289.97872 | 165.1 |
[M-H]- | 265.98222 | 155.6 |
[M+NH4]+ | 285.02332 | 172.1 |
[M+K]+ | 305.95266 | 152.6 |
[M+H-H2O]+ | 249.98676 | 151.5 |
[M+HCOO]- | 311.98770 | 169.7 |
[M+CH3COO]- | 326.00335 | 190.7 |
[M+Na-2H]- | 287.96417 | 155.6 |
[M]+ | 266.98895 | 170.8 |
[M]- | 266.99005 | 170.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.