CID 6328977

Tributylsulfonium iodide

Structural Information

Molecular Formula

C₁₂H₂₇S

SMILES

CCCC[S+](CCCC)CCCC

InChI

InChI=1S/C12H27S/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4-12H2,1-3H3/q+1

InChIKey

XDQXIEKWEFUDFK-UHFFFAOYSA-N

Compound name

tributylsulfanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1672
Patents: 203.18335 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]+	204.19063	150.4
[M+Na]+	226.17257	155.0
[M-H]-	202.17607	150.2
[M+NH4]+	221.21717	170.1
[M+K]+	242.14651	147.5
[M+H-H2O]+	186.18061	147.6
[M+HCOO]-	248.18155	165.5
[M+CH3COO]-	262.19720	183.9
[M+Na-2H]-	224.15802	151.8
[M]+	203.18280	153.9
[M]-	203.18390	153.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe