CID 11701630

Di-tert-butyl (chloromethyl) phosphate

Structural Information

Molecular Formula

C₉H₂₀ClO₄P

SMILES

CC(C)(C)OP(=O)(OCCl)OC(C)(C)C

InChI

InChI=1S/C9H20ClO4P/c1-8(2,3)13-15(11,12-7-10)14-9(4,5)6/h7H2,1-6H3

InChIKey

LNJAJHJFSKUCIR-UHFFFAOYSA-N

Compound name

ditert-butyl chloromethyl phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2284
Patents: 258.07877 Da
Monoisotopic Mass: 2.2
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]+	259.08605	158.7
[M+Na]+	281.06799	166.9
[M-H]-	257.07149	158.6
[M+NH4]+	276.11259	177.9
[M+K]+	297.04193	166.1
[M+H-H2O]+	241.07603	153.8
[M+HCOO]-	303.07697	178.9
[M+CH3COO]-	317.09262	194.1
[M+Na-2H]-	279.05344	164.0
[M]+	258.07822	168.2
[M]-	258.07932	168.2

Literature stripe

literature stripe

Patent stripe

patents stripe