CID 213031

Fenhexamid

Structural Information

Molecular Formula

C₁₄H₁₇Cl₂NO₂

SMILES

CC1(CCCCC1)C(=O)NC2=C(C(=C(C=C2)O)Cl)Cl

InChI

InChI=1S/C14H17Cl2NO2/c1-14(7-3-2-4-8-14)13(19)17-9-5-6-10(18)12(16)11(9)15/h5-6,18H,2-4,7-8H2,1H3,(H,17,19)

InChIKey

VDLGAVXLJYLFDH-UHFFFAOYSA-N

Compound name

N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 86
References: 33950
Patents: 301.06363 Da
Monoisotopic Mass: 4.4
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]+	302.070906	164.7
[M+Na]+	324.052848	172.0
[M-H]-	300.056354	169.2
[M+NH4]+	319.097453	182.3
[M+K]+	340.026788	166.0
[M+H-H2O]+	284.060890	160.4
[M+HCOO]-	346.061831	174.6
[M+CH3COO]-	360.077481	200.1
[M+Na-2H]-	322.038296	166.5
[M]+	301.06308142	163.5
[M]-	301.06417858	163.5

Literature stripe

literature stripe

Patent stripe

patents stripe