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

4
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	145.1
[M+Na]+	236.07943	156.7
[M-H]-	212.08293	148.2
[M+NH4]+	231.12403	161.0
[M+K]+	252.05337	152.3
[M+H-H2O]+	196.08747	130.0
[M+HCOO]-	258.08841	164.5
[M+CH3COO]-	272.10406	199.4
[M+Na-2H]-	234.06488	149.0
[M]+	213.08966	142.0
[M]-	213.09076	142.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.