CID 155858275
4-bromo-5-(1,1-difluoroethyl)-1h-pyrazole
Structural Information
- Molecular Formula
- C5H5BrF2N2
- SMILES
- CC(C1=C(C=NN1)Br)(F)F
- InChI
- InChI=1S/C5H5BrF2N2/c1-5(7,8)4-3(6)2-9-10-4/h2H,1H3,(H,9,10)
- InChIKey
- JHQRZGKQNZJHNF-UHFFFAOYSA-N
- Compound name
- 4-bromo-5-(1,1-difluoroethyl)-1H-pyrazole
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 210.96770 | 136.1 |
[M+Na]+ | 232.94964 | 149.5 |
[M-H]- | 208.95314 | 136.7 |
[M+NH4]+ | 227.99424 | 157.3 |
[M+K]+ | 248.92358 | 138.1 |
[M+H-H2O]+ | 192.95768 | 134.8 |
[M+HCOO]- | 254.95862 | 152.8 |
[M+CH3COO]- | 268.97427 | 179.8 |
[M+Na-2H]- | 230.93509 | 143.1 |
[M]+ | 209.95987 | 150.7 |
[M]- | 209.96097 | 150.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.