CID 104781

Tbps

Structural Information

Molecular Formula

C₈H₁₅O₃PS

SMILES

CC(C)(C)C12COP(=S)(OC1)OC2

InChI

InChI=1S/C8H15O3PS/c1-7(2,3)8-4-9-12(13,10-5-8)11-6-8/h4-6H2,1-3H3

InChIKey

VTBHBNXGFPTBJL-UHFFFAOYSA-N

Compound name

4-tert-butyl-1-sulfanylidene-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 473
References: 1257
Patents: 222.04796 Da
Monoisotopic Mass: 2.6
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]+	223.05524	147.3
[M+Na]+	245.03718	156.2
[M+NH4]+	240.08178	159.8
[M+K]+	261.01112	146.5
[M-H]-	221.04068	147.9
[M+Na-2H]-	243.02263	146.4
[M]+	222.04741	149.6
[M]-	222.04851	149.6

Literature stripe

literature stripe

Patent stripe

patents stripe