CID 170990

O-ethyl o-isopropyl phosphorochloridothioate

Structural Information

Molecular Formula

C₅H₁₂ClO₂PS

SMILES

CCOP(=S)(OC(C)C)Cl

InChI

InChI=1S/C5H12ClO2PS/c1-4-7-9(6,10)8-5(2)3/h5H,4H2,1-3H3

InChIKey

YFCPDTHWTNVJIV-UHFFFAOYSA-N

Compound name

chloro-ethoxy-propan-2-yloxy-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 32
Patents: 201.99841 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]+	203.00569	137.8
[M+Na]+	224.98763	146.1
[M-H]-	200.99113	137.9
[M+NH4]+	220.03223	159.3
[M+K]+	240.96157	144.0
[M+H-H2O]+	184.99567	132.3
[M+HCOO]-	246.99661	155.8
[M+CH3COO]-	261.01226	183.0
[M+Na-2H]-	222.97308	138.0
[M]+	201.99786	145.1
[M]-	201.99896	145.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe