CID 75651

2524-05-2

Structural Information

Molecular Formula

C₆H₁₄ClO₂PS

SMILES

CCCOP(=S)(OCCC)Cl

InChI

InChI=1S/C6H14ClO2PS/c1-3-5-8-10(7,11)9-6-4-2/h3-6H2,1-2H3

InChIKey

GBTKSPPVHLJBFE-UHFFFAOYSA-N

Compound name

chloro-dipropoxy-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 44
Patents: 216.01407 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]+	217.02135	143.0
[M+Na]+	239.00329	151.1
[M-H]-	215.00679	142.7
[M+NH4]+	234.04789	163.9
[M+K]+	254.97723	148.3
[M+H-H2O]+	199.01133	137.1
[M+HCOO]-	261.01227	161.7
[M+CH3COO]-	275.02792	185.3
[M+Na-2H]-	236.98874	143.7
[M]+	216.01352	151.2
[M]-	216.01462	151.2

Literature stripe

literature stripe

Patent stripe

patents stripe