Spectrum WA000249 for Bromoxynil

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
InChI=1S/C7H3Br2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H
UPMXNNIRAGDFEH-UHFFFAOYSA-N
C7H3Br2NO
274.85813791600003
N#CC1=CC(Br)=C(O)C(Br)=C1

Mass Spectral Metadata

NameValue
WA000249
2016.01.19 (Created 2007.08.01, modified 2011.05.06)
Nihon Waters K.K.
CC BY-NC
274.85814
QuattroPremier XE, Waters
LC-ESI-QQ
MS2
10 V
ignore rel.int. < 5
negative
0.0965842271209878
0.13934158549554243
275.7
[M-H]-
6707.065955748809 ppm
1.8491380839999465 Da