Molecule

(1-ethoxy-1-oxopropan-2-yl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate

Chemical Information

Molecular Image

InChI	InChI=1S/C19H15ClF3NO7/c1-3-29-17(25)10(2)30-18(26)13-9-12(5-6-15(13)24(27)28)31-16-7-4-11(8-14(16)20)19(21,22)23/h4-10H,3H2,1-2H3
SMILES	CCOC(=O)C(C)OC(=O)c(c1)c(N(=O)=O)ccc(Oc(c2)c(Cl)cc(c2)C(F)(F)F)1
InChI Key	CONWAEURSVPLRM-UHFFFAOYSA-N
Exact Mass	461.049 g/mol

11 Related Dataset(s) ⌄

Lactofen; LC-ESI-QQ; MS2; CE:10 V; [M+NH4]+

Lactofen; LC-ESI-QQ; MS2; CE:20 V; [M+NH4]+

Lactofen; LC-ESI-QQ; MS2; CE:30 V; [M+NH4]+

Lactofen; LC-ESI-QQ; MS2; CE:40 V; [M+NH4]+

Lactofen; LC-ESI-QTOF; MS2; [M+H]+; CID; CE 10V

Lactofen; LC-ESI-QTOF; MS2; [M+H]+; CID; CE 20V

Lactofen; LC-ESI-QTOF; MS2; [M+H]+; CID; CE 30V

Lactofen; LC-ESI-QTOF; MS2; [M+H]+; CID; CE 40V

Lactofen; LC-ESI-QTOF; MS2; [M+H]+; CID; CE 50V

Lactofen; LC-ESI-QTOF; MS2; [M+H]+; CID; CE 60V

Lactofen; LC-ESI-QTOF; MS; POSITIVE

Metadata Information

Field	Value
NFDI4Chem Molecule ID	nfdi4chem-mol85620
Source
Alternate Name

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
CHEMBL1243178	chembl
29462400	surechembl
30606811	surechembl
39523	surechembl
62276	pubchem
L44N8UV47O	fdasrs
162670	brenda
83389	brenda
HMDB0253946	hmdb
DTXSID7024160	comptox
Molport-006-666-217	molport
The data in this table is sourced from UniChem at EBI.