CID 119490

Ethiofencarb-sulfone

Structural Information

Molecular Formula

C₁₁H₁₅NO₄S

SMILES

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

InChI

InChI=1S/C11H15NO4S/c1-3-17(14,15)8-9-6-4-5-7-10(9)16-11(13)12-2/h4-7H,3,8H2,1-2H3,(H,12,13)

InChIKey

IOPTXXRNXCPJGO-UHFFFAOYSA-N

Compound name

[2-(ethylsulfonylmethyl)phenyl] N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 9
Patents: 257.07217 Da
Monoisotopic Mass: 0.6
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]+	258.07945	156.9
[M+Na]+	280.06139	166.4
[M+NH4]+	275.10599	163.0
[M+K]+	296.03533	160.2
[M-H]-	256.06489	157.0
[M+Na-2H]-	278.04684	161.1
[M]+	257.07162	158.5
[M]-	257.07272	158.5

Literature stripe

literature stripe

Patent stripe

patents stripe