CID 2733424

Tert-butylphosphonic dichloride

Structural Information

Molecular Formula

C₄H₉Cl₂OP

SMILES

CC(C)(C)P(=O)(Cl)Cl

InChI

InChI=1S/C4H9Cl2OP/c1-4(2,3)8(5,6)7/h1-3H3

InChIKey

OQUGNSMOWJIYMO-UHFFFAOYSA-N

Compound name

2-dichlorophosphoryl-2-methylpropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 98
Patents: 173.9768 Da
Monoisotopic Mass: 1.9
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]+	174.984076	132.3
[M+Na]+	196.966018	142.6
[M-H]-	172.969524	132.1
[M+NH4]+	192.010623	155.0
[M+K]+	212.939958	139.2
[M+H-H2O]+	156.974060	128.9
[M+HCOO]-	218.975001	149.7
[M+CH3COO]-	232.990651	178.1
[M+Na-2H]-	194.951466	137.5
[M]+	173.97625142	136.9
[M]-	173.97734858	136.9

Literature stripe

literature stripe

Patent stripe

patents stripe