CID 75652

O,o-diisopropyl chlorothiophosphate

Structural Information

Molecular Formula

C₆H₁₄ClO₂PS

SMILES

CC(C)OP(=S)(OC(C)C)Cl

InChI

InChI=1S/C6H14ClO2PS/c1-5(2)8-10(7,11)9-6(3)4/h5-6H,1-4H3

InChIKey

DWKVPAJIUJRQDW-UHFFFAOYSA-N

Compound name

chloro-di(propan-2-yloxy)-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 216.01407 Da
Monoisotopic Mass: 3.6
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]+	217.02135	141.8
[M+Na]+	239.00329	149.4
[M-H]-	215.00679	141.8
[M+NH4]+	234.04789	162.7
[M+K]+	254.97723	147.5
[M+H-H2O]+	199.01133	136.2
[M+HCOO]-	261.01227	158.5
[M+CH3COO]-	275.02792	186.8
[M+Na-2H]-	236.98874	140.5
[M]+	216.01352	148.9
[M]-	216.01462	148.9

Literature stripe

literature stripe

Patent stripe

patents stripe