CID 3035207

Ethiofencarb sulfoxide

Structural Information

Molecular Formula

C₁₁H₁₅NO₃S

SMILES

CCS(=O)CC1=CC=CC=C1OC(=O)NC

InChI

InChI=1S/C11H15NO3S/c1-3-16(14)8-9-6-4-5-7-10(9)15-11(13)12-2/h4-7H,3,8H2,1-2H3,(H,12,13)

InChIKey

OMOLDRXZKFFGJI-UHFFFAOYSA-N

Compound name

[2-(ethylsulfinylmethyl)phenyl] N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 9
Patents: 241.07727 Da
Monoisotopic Mass: 0.5
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]+	242.084546	152.6
[M+Na]+	264.066488	159.1
[M-H]-	240.069994	156.2
[M+NH4]+	259.111093	170.3
[M+K]+	280.040428	156.8
[M+H-H2O]+	224.074530	145.9
[M+HCOO]-	286.075471	171.1
[M+CH3COO]-	300.091121	191.9
[M+Na-2H]-	262.051936	154.0
[M]+	241.07672142	156.4
[M]-	241.07781858	156.4

Literature stripe

literature stripe

Patent stripe

patents stripe