CID 18127

Stauffer n-2596

Structural Information

Molecular Formula

C₁₀H₁₄ClOPS₂

SMILES

CCOP(=S)(CC)SC1=CC=C(C=C1)Cl

InChI

InChI=1S/C10H14ClOPS2/c1-3-12-13(14,4-2)15-10-7-5-9(11)6-8-10/h5-8H,3-4H2,1-2H3

InChIKey

ABDPTAUFTLYLPR-UHFFFAOYSA-N

Compound name

(4-chlorophenyl)sulfanyl-ethoxy-ethyl-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 92
Patents: 279.9912 Da
Monoisotopic Mass: 4.6
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]+	280.99848	152.2
[M+Na]+	302.98042	160.8
[M-H]-	278.98392	155.1
[M+NH4]+	298.02502	170.8
[M+K]+	318.95436	154.8
[M+H-H2O]+	262.98846	145.0
[M+HCOO]-	324.98940	165.8
[M+CH3COO]-	339.00505	196.2
[M+Na-2H]-	300.96587	150.9
[M]+	279.99065	158.5
[M]-	279.99175	158.5

Literature stripe

literature stripe

Patent stripe

patents stripe