Spectrum WA000208 for Dichlorprop

Rating: (*)★(*)★(*)★(*)★(*)☆

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/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)
MZHCENGPTKEIGP-UHFFFAOYSA-N
C9H8Cl2O3
233.98504947599997
O=C(O)C(OC1=CC=C(Cl)C=C1Cl)C

Mass Spectral Metadata

NameValue
WA000208
2016.01.19 (Created 2007.08.01, modified 2011.05.06)
Nihon Waters K.K.
CC BY-NC
233.98505
QuattroPremier XE, Waters
LC-ESI-QQ
MS2
10 V
ignore rel.int. < 5
negative
0.7841362394482286
0.37708982134442676
232.8
[M-H]-
763.6317697593225 ppm
-0.1777734759999703 Da