CID 7022248
3-bromo-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
Structural Information
- Molecular Formula
- C9H5BrF3N3O2
- SMILES
- CC1=NC2=C(C(=NN2C(=C1)C(F)(F)F)C(=O)O)Br
- InChI
- InChI=1S/C9H5BrF3N3O2/c1-3-2-4(9(11,12)13)16-7(14-3)5(10)6(15-16)8(17)18/h2H,1H3,(H,17,18)
- InChIKey
- RQRXSTWXDFFIRV-UHFFFAOYSA-N
- Compound name
- 3-bromo-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 323.95900 | 159.9 |
[M+Na]+ | 345.94094 | 175.8 |
[M-H]- | 321.94444 | 160.2 |
[M+NH4]+ | 340.98554 | 177.0 |
[M+K]+ | 361.91488 | 163.5 |
[M+H-H2O]+ | 305.94898 | 157.3 |
[M+HCOO]- | 367.94992 | 173.9 |
[M+CH3COO]- | 381.96557 | 200.1 |
[M+Na-2H]- | 343.92639 | 164.9 |
[M]+ | 322.95117 | 178.1 |
[M]- | 322.95227 | 178.1 |
Literature stripe
No literature data available for this compound.
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No patent data available for this compound.