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: 2242
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	157.0
[M+Na]+	281.06799	165.2
[M+NH4]+	276.11259	162.4
[M+K]+	297.04193	162.5
[M-H]-	257.07149	152.9
[M+Na-2H]-	279.05344	158.4
[M]+	258.07822	157.2
[M]-	258.07932	157.2

Literature stripe

literature stripe

Patent stripe

patents stripe