CID 182438

64691-63-0

Structural Information

Molecular Formula

C₂₂H₁₉Cl₂NO₄

SMILES

CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=C(C=C3)O)C=C(Cl)Cl)C

InChI

InChI=1S/C22H19Cl2NO4/c1-22(2)17(11-19(23)24)20(22)21(27)29-18(12-25)13-4-3-5-16(10-13)28-15-8-6-14(26)7-9-15/h3-11,17-18,20,26H,1-2H3

InChIKey

RMCYSJORMXBLLG-UHFFFAOYSA-N

Compound name

[cyano-[3-(4-hydroxyphenoxy)phenyl]methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 0
Patents: 431.06912 Da
Monoisotopic Mass: 5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	432.076396	185.7
[M+Na]+	454.058338	201.7
[M-H]-	430.061844	194.5
[M+NH4]+	449.102943	194.8
[M+K]+	470.032278	190.7
[M+H-H2O]+	414.066380	177.6
[M+HCOO]-	476.067321	195.3
[M+CH3COO]-	490.082971	231.6
[M+Na-2H]-	452.043786	186.2
[M]+	431.06857142	190.8
[M]-	431.06966858	190.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.