CID 32739

Chlormephos

Structural Information

Molecular Formula

C₅H₁₂ClO₂PS₂

SMILES

CCOP(=S)(OCC)SCCl

InChI

InChI=1S/C5H12ClO2PS2/c1-3-7-9(10,8-4-2)11-5-6/h3-5H2,1-2H3

InChIKey

QGTYWWGEWOBMAK-UHFFFAOYSA-N

Compound name

chloromethylsulfanyl-diethoxy-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 2
References: 22450
Patents: 233.97049 Da
Monoisotopic Mass: 3.1
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]+	234.97777	141.1
[M+Na]+	256.95971	148.9
[M-H]-	232.96321	140.8
[M+NH4]+	252.00431	161.2
[M+K]+	272.93365	145.0
[M+H-H2O]+	216.96775	134.8
[M+HCOO]-	278.96869	154.6
[M+CH3COO]-	292.98434	187.1
[M+Na-2H]-	254.94516	140.2
[M]+	233.96994	148.8
[M]-	233.97104	148.8

Literature stripe

literature stripe

Patent stripe

patents stripe