CID 655493
5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
Structural Information
- Molecular Formula
- C14H8F3N3O2
- SMILES
- C1=CC=C(C=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)O
- InChI
- InChI=1S/C14H8F3N3O2/c15-14(16,17)11-6-9(8-4-2-1-3-5-8)18-12-7-10(13(21)22)19-20(11)12/h1-7H,(H,21,22)
- InChIKey
- ATBJQBRIAPZDIC-UHFFFAOYSA-N
- Compound name
- 5-phenyl-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]+ | 308.06413 | 164.9 |
[M+Na]+ | 330.04607 | 176.5 |
[M-H]- | 306.04957 | 164.8 |
[M+NH4]+ | 325.09067 | 177.9 |
[M+K]+ | 346.02001 | 170.5 |
[M+H-H2O]+ | 290.05411 | 153.9 |
[M+HCOO]- | 352.05505 | 180.4 |
[M+CH3COO]- | 366.07070 | 200.4 |
[M+Na-2H]- | 328.03152 | 169.5 |
[M]+ | 307.05630 | 163.6 |
[M]- | 307.05740 | 163.6 |