CID 4452609
618091-42-2
Structural Information
- Molecular Formula
- C16H11ClFN3O
- SMILES
- C1=CC=C(C(=C1)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)N)Cl
- InChI
- InChI=1S/C16H11ClFN3O/c17-14-4-2-1-3-12(14)15(22)13-9-20-21(16(13)19)11-7-5-10(18)6-8-11/h1-9H,19H2
- InChIKey
- LSTJBRUMFZAVQK-UHFFFAOYSA-N
- Compound name
- [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(2-chlorophenyl)methanone
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 316.06474 | 169.7 |
[M+Na]+ | 338.04668 | 180.2 |
[M-H]- | 314.05018 | 176.0 |
[M+NH4]+ | 333.09128 | 183.6 |
[M+K]+ | 354.02062 | 172.9 |
[M+H-H2O]+ | 298.05472 | 159.7 |
[M+HCOO]- | 360.05566 | 187.0 |
[M+CH3COO]- | 374.07131 | 181.2 |
[M+Na-2H]- | 336.03213 | 170.7 |
[M]+ | 315.05691 | 170.0 |
[M]- | 315.05801 | 170.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.