CID 148232

O-ethyl-o-phenylchlorothiophosphate

Structural Information

Molecular Formula

C₈H₁₀ClO₂PS

SMILES

CCOP(=S)(OC1=CC=CC=C1)Cl

InChI

InChI=1S/C8H10ClO2PS/c1-2-10-12(9,13)11-8-6-4-3-5-7-8/h3-7H,2H2,1H3

InChIKey

NUESSQYZNOVTAQ-UHFFFAOYSA-N

Compound name

chloro-ethoxy-phenoxy-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 14
Patents: 235.98277 Da
Monoisotopic Mass: 3.8
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]+	236.99005	144.5
[M+Na]+	258.97199	153.3
[M-H]-	234.97549	147.6
[M+NH4]+	254.01659	164.4
[M+K]+	274.94593	149.5
[M+H-H2O]+	218.98003	137.6
[M+HCOO]-	280.98097	164.3
[M+CH3COO]-	294.99662	186.5
[M+Na-2H]-	256.95744	146.8
[M]+	235.98222	151.0
[M]-	235.98332	151.0

Literature stripe

literature stripe

Patent stripe

patents stripe