CID 136320980

Fenpyroximate m-9

Structural Information

Molecular Formula

C₁₁H₁₀N₂O₂

SMILES

CC1=NNC(=C1C=O)OC2=CC=CC=C2

InChI

InChI=1S/C11H10N2O2/c1-8-10(7-14)11(13-12-8)15-9-5-3-2-4-6-9/h2-7H,1H3,(H,12,13)

InChIKey

XSJFXIGFPGGEMK-UHFFFAOYSA-N

Compound name

3-methyl-5-phenoxy-1H-pyrazole-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 1
Patents: 202.07423 Da
Monoisotopic Mass: 1.9
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]+	203.081506	141.9
[M+Na]+	225.063448	151.4
[M-H]-	201.066954	145.3
[M+NH4]+	220.108053	159.5
[M+K]+	241.037388	147.7
[M+H-H2O]+	185.071490	134.1
[M+HCOO]-	247.072431	164.6
[M+CH3COO]-	261.088081	181.2
[M+Na-2H]-	223.048896	147.1
[M]+	202.07368142	142.8
[M]-	202.07477858	142.8

Literature stripe

literature stripe

Patent stripe

patents stripe