CID 76515

Tributylphosphine sulfide

Structural Information

Molecular Formula

C₁₂H₂₇PS

SMILES

CCCCP(=S)(CCCC)CCCC

InChI

InChI=1S/C12H27PS/c1-4-7-10-13(14,11-8-5-2)12-9-6-3/h4-12H2,1-3H3

InChIKey

FQVPFGDPYSIWTM-UHFFFAOYSA-N

Compound name

tributyl(sulfanylidene)-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 654
Patents: 234.1571 Da
Monoisotopic Mass: 4.9
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]+	235.164376	160.3
[M+Na]+	257.146318	165.4
[M-H]-	233.149824	158.8
[M+NH4]+	252.190923	179.8
[M+K]+	273.120258	162.2
[M+H-H2O]+	217.154360	152.5
[M+HCOO]-	279.155301	180.9
[M+CH3COO]-	293.170951	195.9
[M+Na-2H]-	255.131766	157.7
[M]+	234.15655142	166.3
[M]-	234.15764858	166.3

Literature stripe

literature stripe

Patent stripe

patents stripe