SpectraBase Spectrum ID |
6GKvkLhpZdv |
Name |
N-[2-(Hydroxymethyl)phenyl]-2,2,2-trifluoroacetimidoylbromide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
280.966311337 u |
Formula |
C9H7BrF3NO |
InChI |
InChI=1S/C9H7BrF3NO/c10-8(9(11,12)13)14-7-4-2-1-3-6(7)5-15/h1-4,15H,5H2/b14-8- |
InChIKey |
KIOGIDHSQSGWMY-ZSOIEALJSA-N |
Molecular Weight |
282.060 g/mol |
SMILES |
C(\C(=N\C1=C(CO)C=CC=C1)Br)(F)(F)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.807026 |