CID 202349

10140-94-0

Structural Information

Molecular Formula

C₈H₁₆ClO₂PS

SMILES

CCCC1C(COP(=S)(O1)Cl)CC

InChI

InChI=1S/C8H16ClO2PS/c1-3-5-8-7(4-2)6-10-12(9,13)11-8/h7-8H,3-6H2,1-2H3

InChIKey

LIQASYRHUGVBON-UHFFFAOYSA-N

Compound name

2-chloro-5-ethyl-4-propyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 242.02971 Da
Monoisotopic Mass: 4.2
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]+	243.03699	146.6
[M+Na]+	265.01893	154.5
[M-H]-	241.02243	150.5
[M+NH4]+	260.06353	166.0
[M+K]+	280.99287	153.4
[M+H-H2O]+	225.02697	140.9
[M+HCOO]-	287.02791	161.9
[M+CH3COO]-	301.04356	189.1
[M+Na-2H]-	263.00438	147.4
[M]+	242.02916	151.3
[M]-	242.03026	151.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe