CID 96660

3676-97-9

Structural Information

Molecular Formula

C₄H₁₂P₂S₂

SMILES

CP(=S)(C)P(=S)(C)C

InChI

InChI=1S/C4H12P2S2/c1-5(2,7)6(3,4)8/h1-4H3

InChIKey

LGZQQMXQPAHRIH-UHFFFAOYSA-N

Compound name

dimethylphosphinothioyl-dimethyl-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 185.98557 Da
Monoisotopic Mass: 2.2
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]+	186.99285	132.7
[M+Na]+	208.97479	140.7
[M-H]-	184.97829	131.5
[M+NH4]+	204.01939	154.4
[M+K]+	224.94873	137.8
[M+H-H2O]+	168.98283	123.5
[M+HCOO]-	230.98377	154.7
[M+CH3COO]-	244.99942	183.2
[M+Na-2H]-	206.96024	130.3
[M]+	185.98502	135.7
[M]-	185.98612	135.7

Literature stripe

literature stripe

Patent stripe

patents stripe