CID 82479

O,o,o-tris(2-chloroethyl) phosphorothioate

Structural Information

Molecular Formula

C₆H₁₂Cl₃O₃PS

SMILES

C(CCl)OP(=S)(OCCCl)OCCCl

InChI

InChI=1S/C6H12Cl3O3PS/c7-1-4-10-13(14,11-5-2-8)12-6-3-9/h1-6H2

InChIKey

UDNXMNHGQDZEIC-UHFFFAOYSA-N

Compound name

tris(2-chloroethoxy)-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 299.93103 Da
Monoisotopic Mass: 3.0
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]+	300.93831	152.7
[M+Na]+	322.92025	160.9
[M-H]-	298.92375	151.6
[M+NH4]+	317.96485	170.7
[M+K]+	338.89419	156.2
[M+H-H2O]+	282.92829	148.7
[M+HCOO]-	344.92923	161.5
[M+CH3COO]-	358.94488	197.0
[M+Na-2H]-	320.90570	152.8
[M]+	299.93048	162.5
[M]-	299.93158	162.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe