CID 34766

Ethiofencarb

Structural Information

Molecular Formula

C₁₁H₁₅NO₂S

SMILES

CCSCC1=CC=CC=C1OC(=O)NC

InChI

InChI=1S/C11H15NO2S/c1-3-15-8-9-6-4-5-7-10(9)14-11(13)12-2/h4-7H,3,8H2,1-2H3,(H,12,13)

InChIKey

HEZNVIYQEUHLNI-UHFFFAOYSA-N

Compound name

[2-(ethylsulfanylmethyl)phenyl] N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 19
References: 23493
Patents: 225.08235 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]+	226.08963	149.5
[M+Na]+	248.07157	156.2
[M-H]-	224.07507	153.1
[M+NH4]+	243.11617	168.1
[M+K]+	264.04551	153.5
[M+H-H2O]+	208.07961	142.9
[M+HCOO]-	270.08055	168.7
[M+CH3COO]-	284.09620	189.8
[M+Na-2H]-	246.05702	151.9
[M]+	225.08180	153.2
[M]-	225.08290	153.2

Literature stripe

literature stripe

Patent stripe

patents stripe