CID 45054564
3-bromo-n-(2-(2-(3-fluorobenzylidene)hydrazino)-2-oxoethyl)benzamide
Structural Information
- Molecular Formula
- C16H13BrFN3O2
- SMILES
- C1=CC(=CC(=C1)F)/C=N/NC(=O)CNC(=O)C2=CC(=CC=C2)Br
- InChI
- InChI=1S/C16H13BrFN3O2/c17-13-5-2-4-12(8-13)16(23)19-10-15(22)21-20-9-11-3-1-6-14(18)7-11/h1-9H,10H2,(H,19,23)(H,21,22)/b20-9+
- InChIKey
- BQNZAGGWHDNYED-AWQFTUOYSA-N
- Compound name
- 3-bromo-N-[2-[(2E)-2-[(3-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 378.02480 | 177.1 |
[M+Na]+ | 400.00674 | 185.1 |
[M-H]- | 376.01024 | 185.5 |
[M+NH4]+ | 395.05134 | 191.9 |
[M+K]+ | 415.98068 | 172.6 |
[M+H-H2O]+ | 360.01478 | 172.3 |
[M+HCOO]- | 422.01572 | 200.1 |
[M+CH3COO]- | 436.03137 | 219.8 |
[M+Na-2H]- | 397.99219 | 181.7 |
[M]+ | 377.01697 | 193.8 |
[M]- | 377.01807 | 193.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.