Spectrum CCMSLIB00000424911 for Anhydrohaloxindole A

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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
C21H21ClN2O
352.134240972
[C-]#[N+]C1C2=C3C(=O)NC4=CC=CC(=C43)C(C)(C)C2CC(Cl)C1(C=C)C
InChI=1S/C21H21ClN2O/c1-6-21(4)14(22)10-12-16(18(21)23-5)17-15-11(20(12,2)3)8-7-9-13(15)24-19(17)25/h6-9,12,14,18H,1,10H2,2-4H3,(H,24,25)/t12-,14+,18+,21-/m0/s1
ZHHYANZIARLNFJ-FWKFCYAVSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Isolated
qTof
352.134
1
f.philipwi/0_WilliamsFreshwaterCyanosStandardsConvertedTo_mzXML_v2/PW-29_P1-D-2_Anhydrohaloxindole_A_352amu_01_15546-Scan934-945.mzXML;
MS2
GNPS-LIBRARY
Philip Williams, Williams, philipwi
positive
4.482123491396091
0.7307732940166752
326.135
[M+H]+
82809.91298695325 ppm
-27.007210971999996 Da