Spectrum KO002387 for 4-Aminophenylsulfone

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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/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2
MQJKPEGWNLWLTK-UHFFFAOYSA-N
C12H12N2O2S
248.061948624
O=S(=O)(C1=CC=C(N)C=C1)C2=CC=C(N)C=C2

Mass Spectral Metadata

NameValue
KO002387
2016.01.19 (Created 2007.07.07, modified 2011.05.10)
Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
CC BY-NC-SA
KEIO_ID A220
248.06195
API3000, Applied Biosystems
LC-ESI-QQ
MS2
50 V
positive
1.311242457691629
0.9458614955573849
249
[M+H]+
280.7976867469721 ppm
-0.06991862399999604 Da