CID 50987371
1-allyl-4-bromo-1h-pyrazole
Structural Information
- Molecular Formula
- C6H7BrN2
- SMILES
- C=CCN1C=C(C=N1)Br
- InChI
- InChI=1S/C6H7BrN2/c1-2-3-9-5-6(7)4-8-9/h2,4-5H,1,3H2
- InChIKey
- KMMQAURXVMBQLW-UHFFFAOYSA-N
- Compound name
- 4-bromo-1-prop-2-enylpyrazole
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 186.98654 | 136.5 |
[M+Na]+ | 208.96848 | 139.4 |
[M+NH4]+ | 204.01308 | 141.0 |
[M+K]+ | 224.94242 | 140.4 |
[M-H]- | 184.97198 | 135.6 |
[M+Na-2H]- | 206.95393 | 139.1 |
[M]+ | 185.97871 | 135.3 |
[M]- | 185.97981 | 135.3 |
Literature stripe
No literature data available for this compound.