CID 99410

Triisobutylphosphine sulphide

Structural Information

Molecular Formula

C₁₂H₂₇PS

SMILES

CC(C)CP(=S)(CC(C)C)CC(C)C

InChI

InChI=1S/C12H27PS/c1-10(2)7-13(14,8-11(3)4)9-12(5)6/h10-12H,7-9H2,1-6H3

InChIKey

MXRLZCWBOJMFJG-UHFFFAOYSA-N

Compound name

tris(2-methylpropyl)-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 232
Patents: 234.1571 Da
Monoisotopic Mass: 5.1
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	159.3
[M+Na]+	257.146318	163.6
[M-H]-	233.149824	158.1
[M+NH4]+	252.190923	178.6
[M+K]+	273.120258	161.8
[M+H-H2O]+	217.154360	151.9
[M+HCOO]-	279.155301	176.8
[M+CH3COO]-	293.170951	198.1
[M+Na-2H]-	255.131766	153.6
[M]+	234.15655142	163.5
[M]-	234.15764858	163.5

Literature stripe

literature stripe

Patent stripe

patents stripe