CID 294544

Dipropyl chloromethylphosphonate

Structural Information

Molecular Formula

C₇H₁₆ClO₃P

SMILES

CCCOP(=O)(CCl)OCCC

InChI

InChI=1S/C7H16ClO3P/c1-3-5-10-12(9,7-8)11-6-4-2/h3-7H2,1-2H3

InChIKey

YKMUHKQSUBZERU-UHFFFAOYSA-N

Compound name

1-[chloromethyl(propoxy)phosphoryl]oxypropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 214.05257 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]+	215.05985	146.8
[M+Na]+	237.04179	154.9
[M-H]-	213.04529	146.1
[M+NH4]+	232.08639	167.4
[M+K]+	253.01573	153.1
[M+H-H2O]+	197.04983	141.1
[M+HCOO]-	259.05077	170.4
[M+CH3COO]-	273.06642	186.5
[M+Na-2H]-	235.02724	150.4
[M]+	214.05202	155.3
[M]-	214.05312	155.3

Literature stripe

literature stripe

Patent stripe

patents stripe