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

5
Annotation Hits: 0
References: 13
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]+	258.079446	155.4
[M+Na]+	280.061388	162.6
[M-H]-	256.064894	159.2
[M+NH4]+	275.105993	172.5
[M+K]+	296.035328	160.2
[M+H-H2O]+	240.069430	149.0
[M+HCOO]-	302.070371	173.8
[M+CH3COO]-	316.086021	192.7
[M+Na-2H]-	278.046836	158.9
[M]+	257.07162142	160.0
[M]-	257.07271858	160.0

Literature stripe

literature stripe

Patent stripe

patents stripe