CID 43673

Tert-butyl-bicyclophosphate

Structural Information

Molecular Formula

C₈H₁₅O₄P

SMILES

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

InChI

InChI=1S/C8H15O4P/c1-7(2,3)8-4-10-13(9,11-5-8)12-6-8/h4-6H2,1-3H3

InChIKey

CNBZOKKOTFTYLW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 29
Patents: 206.0708 Da
Monoisotopic Mass: 0.9
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]+	207.07808	146.6
[M+Na]+	229.06002	152.8
[M-H]-	205.06352	144.7
[M+NH4]+	224.10462	170.4
[M+K]+	245.03396	156.0
[M+H-H2O]+	189.06806	140.4
[M+HCOO]-	251.06900	160.4
[M+CH3COO]-	265.08465	187.6
[M+Na-2H]-	227.04547	160.6
[M]+	206.07025	153.2
[M]-	206.07135	153.2

Literature stripe

literature stripe

Patent stripe

patents stripe