CID 78439

Propylphosphonic dichloride

Structural Information

Molecular Formula

C₃H₇Cl₂OP

SMILES

CCCP(=O)(Cl)Cl

InChI

InChI=1S/C3H7Cl2OP/c1-2-3-7(4,5)6/h2-3H2,1H3

InChIKey

CWMQAFZROJAZQS-UHFFFAOYSA-N

Compound name

1-dichlorophosphorylpropane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 191
Patents: 159.96115 Da
Monoisotopic Mass: 1.8
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]+	160.968426	127.1
[M+Na]+	182.950368	137.4
[M-H]-	158.953874	126.6
[M+NH4]+	177.994973	150.2
[M+K]+	198.924308	133.8
[M+H-H2O]+	142.958410	123.4
[M+HCOO]-	204.959351	146.4
[M+CH3COO]-	218.975001	175.4
[M+Na-2H]-	180.935816	132.0
[M]+	159.96060142	131.9
[M]-	159.96169858	131.9

Literature stripe

literature stripe

Patent stripe

patents stripe