CID 682833

Fenpyroximate m-11

Structural Information

Molecular Formula

C₁₂H₁₁N₃O

SMILES

CC1=NN(C(=C1C#N)OC2=CC=CC=C2)C

InChI

InChI=1S/C12H11N3O/c1-9-11(8-13)12(15(2)14-9)16-10-6-4-3-5-7-10/h3-7H,1-2H3

InChIKey

TUJIEKJXBCEFOX-UHFFFAOYSA-N

Compound name

1,3-dimethyl-5-phenoxypyrazole-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 0
Patents: 213.09021 Da
Monoisotopic Mass: 2.2
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]+	214.09749	147.1
[M+Na]+	236.07943	160.6
[M+NH4]+	231.12403	151.6
[M+K]+	252.05337	152.4
[M-H]-	212.08293	142.4
[M+Na-2H]-	234.06488	152.3
[M]+	213.08966	146.9
[M]-	213.09076	146.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.