CID 17305

Diethyl chlorothiophosphate

Structural Information

Molecular Formula

C₄H₁₀ClO₂PS

SMILES

CCOP(=S)(OCC)Cl

InChI

InChI=1S/C4H10ClO2PS/c1-3-6-8(5,9)7-4-2/h3-4H2,1-2H3

InChIKey

KMJJJTCKNZYTEY-UHFFFAOYSA-N

Compound name

chloro-diethoxy-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 4
References: 1228
Patents: 187.98277 Da
Monoisotopic Mass: 2.7
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]+	188.99005	133.6
[M+Na]+	210.97199	142.6
[M-H]-	186.97549	133.7
[M+NH4]+	206.01659	155.7
[M+K]+	226.94593	140.3
[M+H-H2O]+	170.98003	128.2
[M+HCOO]-	232.98097	152.9
[M+CH3COO]-	246.99662	179.3
[M+Na-2H]-	208.95744	135.3
[M]+	187.98222	141.1
[M]-	187.98332	141.1

Literature stripe

literature stripe

Patent stripe

patents stripe