CID 135465528
Schembl6449954
Structural Information
- Molecular Formula
- C14H10BrN3O
- SMILES
- C1=CC=NC(=C1)N2C=CC(=N2)C3=C(C=CC(=C3)Br)O
- InChI
- InChI=1S/C14H10BrN3O/c15-10-4-5-13(19)11(9-10)12-6-8-18(17-12)14-3-1-2-7-16-14/h1-9,19H
- InChIKey
- GMEWRFAULRNTCH-UHFFFAOYSA-N
- Compound name
- 4-bromo-2-(1-pyridin-2-ylpyrazol-3-yl)phenol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 316.00801 | 161.4 |
[M+Na]+ | 337.98995 | 174.1 |
[M-H]- | 313.99345 | 169.4 |
[M+NH4]+ | 333.03455 | 176.9 |
[M+K]+ | 353.96389 | 161.4 |
[M+H-H2O]+ | 297.99799 | 159.2 |
[M+HCOO]- | 359.99893 | 180.5 |
[M+CH3COO]- | 374.01458 | 175.1 |
[M+Na-2H]- | 335.97540 | 167.5 |
[M]+ | 315.00018 | 179.7 |
[M]- | 315.00128 | 179.7 |
Literature stripe
No literature data available for this compound.